data_1wim_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 1wim _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 ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.91 165.01 2.1 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -128.53 143.2 50.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -104.05 6.86 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.28 -59.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -99.07 4.48 47.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? 49.57 40.83 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.66 151.18 16.99 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.02 136.88 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -152.6 149.64 22.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.68 68.9 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.19 -16.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.67 -42.39 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -103.7 40.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.2 mmm -135.26 163.56 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -138.24 116.08 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -89.02 114.47 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.34 124.11 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.63 24.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.746 ' NE2' HE21 ' A' ' 65' ' ' GLN . 5.7 mp0 -116.44 -43.1 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.6 p -134.38 33.16 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' CYS . 20.6 mm-40 36.16 44.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.4 m -108.22 120.13 41.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.476 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 20.3 tt -101.52 143.37 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 52.7 m-85 -152.62 152.94 32.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -71.14 125.9 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 39.8 m -32.34 -58.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 36.7 mt -35.96 -69.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -48.92 -68.64 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -38.7 -40.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -63.58 -52.26 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 3.9 mp0 -64.6 -29.05 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -69.04 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 m -57.92 -35.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.17 -60.76 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -45.63 -41.36 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.83 -61.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 44' ' ' LYS . 39.3 mt -51.81 -55.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ILE . 22.8 mtpt -36.42 -44.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.49 39.29 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.08 -32.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -138.6 134.81 34.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 50' ' ' ALA . 9.8 t -90.02 -42.94 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.466 ' N ' HG22 ' A' ' 49' ' ' THR . . . -54.88 120.11 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.4 ' CG1' HD12 ' A' ' 69' ' ' ILE . 25.6 mm -95.81 83.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -59.1 176.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.62 135.92 85.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.84 3.72 2.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.17 119.57 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.44 -23.75 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.0 43.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -98.21 113.24 63.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.55 37.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.26 -20.34 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 45.53 52.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.48 170.32 42.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.428 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 1.8 t-80 -121.78 164.26 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.569 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.3 mm? -99.72 109.29 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.746 HE21 ' NE2' ' A' ' 25' ' ' GLN . 65.0 mt-30 -56.56 168.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -66.08 -51.02 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 5.7 p30 -43.18 -46.51 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 -56.61 20.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLU . 21.1 mt -55.13 -54.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' ILE . 43.5 tt0 -34.65 -54.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.3 m -74.28 -46.76 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.9 tpp -43.93 -54.24 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -102.08 171.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 159.29 15.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.65 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.35 -47.83 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.6 mm -72.11 -58.31 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.9 tpt -34.18 -53.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -39.45 -50.29 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -51.68 -46.04 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.9 -38.53 73.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.22 -46.14 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -69.14 -30.83 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.7 mt -65.66 -35.79 81.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.97 -54.71 43.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.64 148.28 19.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -106.07 165.74 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -106.26 -30.89 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 15.5 mt -82.84 -73.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.84 -13.11 60.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt 49.2 48.7 20.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.54 153.05 16.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -91.81 104.85 17.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.3 152.19 77.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.752 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 142.69 48.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.387 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 m -48.09 -20.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.08 -36.66 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -104.19 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.3 mmm -138.65 162.93 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -129.38 110.35 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -87.21 119.45 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mt -77.38 132.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.93 21.56 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -111.44 -45.61 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.8 p -130.84 22.36 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 44.22 45.51 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.8 m -109.7 121.31 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -96.11 146.3 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.0 m-85 -153.21 144.3 22.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -65.95 129.32 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' CYS . 28.3 m -32.7 -62.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.3 mt -34.43 -68.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' LYS . 71.7 m -58.37 -70.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD1' ' HE1' ' A' ' 72' ' ' MET . 0.4 OUTLIER -37.38 -27.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' CYS . 24.6 ttpt -82.78 -59.98 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -55.41 -26.58 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 42' ' ' LEU . 74.9 t80 -65.34 -70.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -54.26 -33.52 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.115 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -65.13 -62.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 3.1 mp -51.43 -41.84 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mt -58.01 -40.07 79.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 80' ' ' ARG . 83.8 mt -73.3 -38.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.94 -39.6 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.01 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 112.04 -67.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . 16.5 tp -36.55 -69.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.87 145.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 p -123.52 -23.17 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.12 161.17 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.513 HG12 ' CE1' ' A' ' 81' ' ' TYR . 48.0 mm -111.99 81.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -68.6 -178.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.7 t -74.36 135.74 75.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 52.0 t0 -102.3 141.93 34.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -91.89 -33.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.78 41.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.6 t -91.95 107.87 25.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.376 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -107.02 -18.33 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 39.93 53.53 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' ND1' ' A' ' 63' ' ' HIS . . . -81.49 -168.05 39.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.416 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.44 ' ND1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -147.62 178.54 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.26 117.92 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.33 141.33 57.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -46.9 -24.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -60.01 -42.69 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.28 -65.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 70' ' ' GLU . 16.8 mt -42.81 -44.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 69' ' ' ILE . 44.3 tt0 -36.46 -65.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 m -76.8 -38.69 53.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.474 ' HE1' ' CD1' ' A' ' 35' ' ' LEU . 15.2 ttm -42.64 -49.28 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 m -113.94 166.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.1 -178.18 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.7 -57.27 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -43.55 -26.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.39 -53.2 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.0 tpt -45.07 -44.47 10.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -47.7 -53.21 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 90.7 mtt-85 -46.35 -58.32 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.513 ' CE1' HG12 ' A' ' 51' ' ' ILE . 34.6 t80 -50.93 -55.28 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -55.56 -36.84 67.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -39.23 93.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.29 -54.7 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.66 -51.37 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 70.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.53 120.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.568 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.56 166.39 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -111.13 -21.19 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.22 -56.85 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.86 -0.47 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp 44.9 43.72 7.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -107.76 141.09 15.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.65 113.1 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 9.2 m-85 -131.93 150.72 76.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.678 0.752 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 136.38 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -39.46 -41.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.36 -44.27 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -97.32 39.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.0 mmm -134.29 154.77 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 73.5 m -129.21 128.85 44.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.141 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -107.22 121.54 44.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mt -72.13 136.66 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.54 26.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -120.37 -45.97 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.5 26.78 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 37.69 47.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -110.01 121.95 46.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 tt -100.68 140.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 87.4 m-85 -147.06 160.81 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.0 p -79.61 129.78 34.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 98.7 m -32.84 -63.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 39.6 mt -33.05 -67.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -50.68 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.0 mt -43.5 -27.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -75.16 -62.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -25.56 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -69.8 -65.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 m -61.73 -21.38 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.8 -57.25 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.5 mm? -53.83 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.92 -56.32 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.1 mt -53.01 -56.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -45.94 -39.48 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.08 -73.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.88 -53.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -38.62 -50.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.93 110.12 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.5 p -86.71 -49.12 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.62 113.19 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.39 93.84 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -73.72 178.87 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.69 136.17 96.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.403 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -113.49 100.42 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.55 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.64 26.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.6 t -89.88 108.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -4.85 14.81 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -103.46 -26.21 12.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 49.01 54.25 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.71 145.77 25.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 14.7 t-80 -101.28 165.44 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.4 mm? -100.49 112.0 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.1 165.54 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.42 -63.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -43.72 -38.72 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -75.08 -49.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ILE . 19.0 tt0 -38.04 -67.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.86 -36.11 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.1 tpp -58.77 -70.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.99 173.61 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.97 167.62 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.38 -42.19 73.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pm0 -59.36 -23.06 62.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.5 mm -95.58 -59.73 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.5 tpt -34.97 -45.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -46.28 -50.41 16.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -54.55 -37.67 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -77.07 -25.76 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -66.01 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 10.3 pttp -72.46 -36.16 68.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 12.3 mt -58.43 -32.95 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -74.55 -43.66 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.21 149.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.0 t -110.92 164.25 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.396 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -101.54 -37.73 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -73.31 -72.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.95 -24.06 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt 57.93 47.99 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.96 -148.55 14.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -146.75 114.62 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.43 153.57 68.64 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.731 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.74 54.96 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 m -47.46 -19.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.63 -39.44 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -97.75 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.8 mmm -139.44 162.79 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -133.69 126.65 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -98.65 138.06 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -95.22 126.69 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 25.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -116.31 -44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.8 p -133.28 29.75 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 37.06 47.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -109.38 131.92 54.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 tt -109.85 143.64 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.3 m-85 -152.51 146.99 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -66.98 124.57 23.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 31.8 m -32.41 -48.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -41.99 -68.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 92.7 m -51.32 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.5 mt -38.22 -44.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -57.52 -56.86 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.24 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 85.9 t80 -66.86 -65.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.2 m -58.88 -25.5 29.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.95 -60.8 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 41' ' ' LEU . 4.4 mm? -49.82 -43.69 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.66 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.86 -43.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -55.15 -40.37 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.84 -69.03 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.51 -34.06 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.98 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -92.03 124.53 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 t -90.82 -32.38 16.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.57 134.64 37.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -96.86 81.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -61.49 176.63 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.22 134.84 95.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.477 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 54.7 Cg_endo -69.76 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -121.18 106.49 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.12 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.36 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.4 t -43.99 117.61 2.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -19.33 35.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -95.09 -36.27 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 55.3 47.25 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.53 172.37 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 20.3 t-80 -108.99 164.71 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 mm? -96.49 115.58 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -54.66 147.88 13.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -52.97 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.94 -45.74 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -55.45 -57.27 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 30.2 mt -58.04 -47.53 86.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.21 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 26.8 tt0 -34.61 -58.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 94.1 m -80.25 -46.41 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.5 tpp -39.14 -48.7 1.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.67 162.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.71 175.85 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.29 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.09 -38.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 29.2 mm -82.5 -61.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.1 tpt -35.06 -50.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -41.92 -51.09 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -55.04 -49.38 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -53.6 -51.58 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -53.33 -41.44 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -58.08 -45.44 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.5 -53.03 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -43.5 -49.99 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 151.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -106.48 167.41 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -109.4 -24.46 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -87.12 -54.07 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.2 -7.06 30.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 42.56 54.2 4.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.426 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -113.56 156.68 15.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -86.28 110.86 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.426 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 20.6 m-85 -142.01 150.43 56.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.45 37.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -45.56 -24.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.47 -44.06 96.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.68 37.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.3 mmm -137.34 156.21 48.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 96.4 m -130.69 129.17 42.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -99.92 129.35 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.0 mt -78.39 132.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.45 25.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.7 -51.65 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.2 p -122.45 18.75 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 47.2 46.21 16.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.6 m -108.69 120.28 42.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.72 141.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 72.1 m-85 -151.07 140.67 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -66.36 130.32 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' CYS . 95.7 m -32.67 -58.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 69.6 mt -36.12 -68.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.4 m -49.93 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.4 mt -38.57 -40.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -60.25 -62.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -56.65 -44.51 81.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 60.3 t80 -52.52 -72.18 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 13.1 m -50.7 -44.54 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 4.9 mt-10 -51.79 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.2 mp -48.61 -61.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.1 mt -41.86 -36.88 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.62 -37.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' CE ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.36 -30.65 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -70.26 -62.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.76 -33.65 6.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.37 -68.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -87.09 109.02 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -74.68 -35.35 62.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.01 145.15 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.0 mm -105.1 79.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.2 p -61.37 -177.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 t -73.99 136.08 76.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.65 3.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -107.05 111.86 24.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.62 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.06 21.3 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.1 t -85.89 111.42 37.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -19.46 36.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -37.3 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.6 52.95 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 179.55 41.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 2.3 t-80 -134.51 164.11 28.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.2 mm? -100.38 113.68 26.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.84 -52.51 65.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -44.27 -43.46 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.23 -53.1 60.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 17.3 mt -61.55 -53.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -35.03 -49.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.9 m -77.92 -46.06 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 ttm -48.81 -61.05 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.12 157.67 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.93 -175.86 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -56.56 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -44.77 -24.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.8 mm -94.99 -59.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ILE . 15.7 tpt -34.05 -46.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -47.28 -51.41 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' HD3' ' CE ' ' A' ' 44' ' ' LYS . 20.2 mtp85 -54.64 -27.81 42.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 9.3 t80 -87.81 -32.99 18.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -67.65 -58.15 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -41.55 -44.86 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.79 -38.34 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.29 -48.86 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.881 0.372 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.44 162.69 1.31 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.7 t -124.98 164.19 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.15 -32.23 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.84 -75.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.23 -14.98 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mt 47.55 47.82 17.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.34 -161.97 25.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.18 115.88 18.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -144.87 150.67 47.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.712 0.768 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.81 26.45 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.09 -33.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -48.83 -45.58 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.28 45.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.489 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 50.0 mmm -142.23 158.26 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 22' ' ' THR . 15.6 m -132.12 148.08 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' THR . 95.8 m -118.37 138.26 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mt -96.36 121.49 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.11 -14.75 61.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.4 -54.47 23.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 p -127.39 26.95 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 41.27 42.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.7 m -102.45 129.81 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -100.86 130.5 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 43.1 m-85 -139.74 139.9 36.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -64.83 130.88 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' LEU . 84.9 m -33.72 -62.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.7 mp -33.55 -63.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.6 -61.37 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.17 -32.04 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -70.99 -68.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.25 -46.84 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 54' ' ' PRO . 56.7 t80 -50.93 -71.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.09 -33.31 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.72 -59.98 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.24 -49.76 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -48.05 -52.98 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.19 -44.74 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -57.25 -23.21 46.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.52 -70.27 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 118.48 -61.79 0.45 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLY . 17.7 tp -36.66 -53.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -73.51 133.36 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -99.99 -32.17 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.35 164.1 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.08 86.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.8 t -65.44 170.27 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 t -56.17 134.31 75.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.727 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.73 3.01 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.03 118.11 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 6.26 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.24 23.41 11.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.02 120.37 61.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.85 36.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLN . 28.9 tttm -110.26 -13.01 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' LYS . 21.1 mt-30 35.95 52.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.97 128.2 19.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.2 m80 -75.81 -176.58 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.85 138.61 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.37 144.47 56.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -56.44 -41.32 76.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -46.34 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.01 -57.22 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLU . 17.3 mt -52.43 -51.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ILE . 35.0 tp10 -35.54 -64.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.76 -37.02 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.9 tpp -47.75 -61.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.43 171.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.01 149.25 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -38.24 -48.35 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -46.61 -42.55 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' MET . 35.8 mm -85.03 -54.12 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ILE . 8.8 tpt -36.74 -50.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -44.16 -48.93 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.4 mtp180 -48.43 -48.08 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.21 -42.22 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -54.82 -49.94 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -61.81 -41.49 97.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 18.7 mt -53.96 -50.98 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -54.54 -51.78 64.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.97 157.78 14.75 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -112.0 166.46 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -99.05 -25.08 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 30.3 mt -93.02 -74.77 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' LEU . 28.0 p -77.8 4.69 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 4.5 mm? 33.1 45.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.514 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -101.86 144.76 16.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -85.45 101.61 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.514 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 8.0 m-85 -123.39 150.81 61.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.747 . . . . 0.0 110.954 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 18' ' ' GLU . 27.0 m -41.69 -39.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 17' ' ' VAL . 12.7 tt0 -46.36 -43.09 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.5 40.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.3 mmm -136.85 157.12 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -127.58 125.12 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.4 m -101.55 133.01 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.31 131.56 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.68 25.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -115.26 -42.28 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.2 p -132.94 17.94 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 48.1 41.45 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.537 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -104.8 134.63 47.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.49 145.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 68.3 m-85 -152.31 156.15 39.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -77.19 126.13 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 19.8 m -32.37 -56.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -36.99 -62.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 99.5 m -57.68 -71.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.0 mt -37.61 -34.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -67.99 -52.34 36.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.38 -26.56 64.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 83.8 t80 -67.78 -62.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' ILE . 5.7 m -63.49 -25.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.89 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.94 -40.52 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 HD13 ' CZ ' ' A' ' 38' ' ' TYR . 25.6 mt -62.39 -53.86 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' VAL . 33.4 mt -59.13 -50.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -51.68 -36.93 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.64 -50.06 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.55 -45.3 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.5 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -56.21 116.29 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -95.18 -26.65 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.81 133.88 54.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.537 HG12 ' CE1' ' A' ' 81' ' ' TYR . 49.2 mm -90.06 83.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t -69.3 -179.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.3 135.36 91.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.85 -5.58 16.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.64 118.5 36.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -48.23 59.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.69 -35.78 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.5 t -41.27 106.59 0.44 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -12.89 33.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -92.73 -39.34 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.54 54.96 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 141.55 22.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -84.52 170.91 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.57 141.0 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -73.03 136.65 45.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.8 -40.47 13.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.43 -58.22 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 81' ' ' TYR . 16.7 mt -52.18 -37.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.73 -59.4 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -66.09 -38.79 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 tpp -51.56 -65.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -91.39 170.18 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 153.0 18.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.52 -50.42 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -44.73 -41.2 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -88.16 -58.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.7 tpt -35.39 -41.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -49.51 -48.71 47.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.6 mtp-105 -53.36 -55.95 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' HG12 ' A' ' 51' ' ' ILE . 27.6 t80 -51.15 -55.84 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -54.3 -44.1 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -60.77 -51.41 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.3 mt -47.78 -47.44 30.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.86 -51.69 66.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.02 152.65 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.04 164.38 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -102.82 -14.44 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 3.88 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.4 mm? 39.32 45.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 15' ' ' TYR . . . -102.32 136.61 12.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.13 102.86 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 10.7 m-85 -125.88 150.74 69.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 142.52 48.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -48.25 -21.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -66.9 -36.66 82.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -99.16 36.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.5 mmm -135.5 160.17 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 m -129.56 124.14 33.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 m -95.62 138.92 32.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.9 128.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.55 22.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -112.63 -47.31 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.02 22.06 4.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 9.9 mm-40 42.67 47.97 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -110.36 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 14.4 tt -99.62 142.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 42.5 m-85 -152.72 147.76 26.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.3 p -67.94 126.21 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 40.2 m -32.05 -52.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 mt -39.25 -68.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.7 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 mt -39.56 -37.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.05 -69.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -51.11 -38.42 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 54' ' ' PRO . 51.7 t80 -54.71 -72.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 HG12 ' CG2' ' A' ' 51' ' ' ILE . 6.6 m -54.12 -34.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -52.88 -52.6 56.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.2 mm? -62.05 -42.18 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.439 HD22 ' CG ' ' A' ' 48' ' ' GLU . 3.5 mp -58.7 -52.13 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.34 -45.4 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -59.81 -37.34 78.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.96 -66.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 114.64 -50.57 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 tp -48.79 -50.49 33.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' CG ' HD22 ' A' ' 42' ' ' LEU . 5.0 tt0 -78.02 77.82 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -55.51 -34.49 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.82 170.78 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.412 ' CG2' HG12 ' A' ' 39' ' ' VAL . 13.0 mm -120.91 86.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -65.05 174.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.22 136.57 91.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.695 0.759 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.81 4.87 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.609 2.206 . . . . 0.0 112.41 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -104.53 155.5 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -34.56 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.81 105.19 17.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -106.07 -28.45 10.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 47.83 53.33 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.94 156.5 20.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -104.76 176.19 5.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.86 150.5 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.0 168.21 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.43 -45.56 53.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -58.58 -39.53 80.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.86 -57.33 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.71 -46.24 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -38.11 -62.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.9 t -74.94 -37.4 62.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -45.77 -59.12 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -102.66 170.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.54 172.38 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.79 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.29 -51.33 14.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 78' ' ' MET . 43.6 mm -71.54 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.8 tpt -36.45 -50.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -46.93 -47.77 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.4 mtp-105 -59.47 -48.2 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.72 -30.27 71.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 3.0 pttm -72.37 -29.2 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 14.5 mt -66.75 -47.84 71.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.02 -45.57 73.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.3 132.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 t -87.51 165.91 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -102.49 -37.35 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -72.12 -75.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.45 -24.7 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt 61.38 43.51 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.41 144.14 15.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.9 114.27 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -135.53 152.52 76.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.728 0.775 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.85 43.69 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.36 -25.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -57.47 -48.53 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 12.6 mp0 -92.21 36.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -136.36 158.29 44.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 ' C ' HD13 ' A' ' 29' ' ' ILE . 54.3 m -132.03 128.68 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -97.59 135.47 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 mt -93.79 144.93 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.32 6.1 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -96.35 -44.95 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 p -131.55 25.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 38.33 44.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -100.23 168.64 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.49 HG13 ' N ' ' A' ' 30' ' ' PHE . 3.9 tp -140.31 146.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' N ' HG13 ' A' ' 29' ' ' ILE . 65.5 m-85 -153.38 156.21 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -77.42 124.94 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 62.3 m -32.19 -54.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' THR . 34.0 mt -36.9 -65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 35' ' ' LEU . 84.0 m -56.77 -70.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' CYS . 7.9 mt -36.29 -35.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -63.49 -67.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -58.81 -29.78 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 42' ' ' LEU . 73.1 t80 -61.38 -72.29 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.53 -24.78 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -72.02 -54.92 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.54 -38.26 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 13.6 mt -65.62 -54.13 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.25 -42.94 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -57.07 -27.87 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.71 -69.95 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.98 -31.61 6.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -28.16 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -113.81 142.4 46.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -107.91 -26.75 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.73 124.25 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.1 mm -77.73 101.46 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -77.45 170.27 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.1 130.05 94.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.02 6.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 43.4 t0 -90.23 146.78 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -98.44 -34.66 10.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.85 30.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.7 t -92.52 106.95 20.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.02 37.1 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -92.82 -30.01 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 49.94 52.22 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.26 -177.68 51.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.8 -177.66 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -106.25 139.27 41.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 20.6 mm-40 -85.13 -178.88 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -75.81 -43.85 44.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 12.0 p30 -39.37 -44.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ILE . 43.5 mp0 -72.58 -71.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.469 HG22 ' CE ' ' A' ' 78' ' ' MET . 78.2 mt -35.12 -44.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -40.85 -66.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.03 -40.33 62.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 ttm -42.01 -50.6 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 m -113.46 169.77 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.99 159.17 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.0 -54.79 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -43.7 -46.19 7.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.7 mm -75.81 -56.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.469 ' CE ' HG22 ' A' ' 69' ' ' ILE . 10.0 tpt -39.01 -49.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.56 -46.39 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -53.74 -51.98 61.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -54.13 -58.32 7.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -53.38 -35.3 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -66.08 -35.71 81.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.97 -54.1 46.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 86' ' ' PHE . 49.3 mm-40 -57.85 -61.61 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 4.7 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.918 0.389 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.4 156.25 30.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -119.69 167.05 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -103.48 -39.62 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 16.3 mt -74.7 -73.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -76.12 -19.72 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 55.01 46.97 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.0 169.66 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.3 121.11 39.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.39 151.54 47.68 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 132.65 23.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.1 m -44.33 -36.71 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.91 -54.54 23.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.58 -37.96 83.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.9 mmm -58.5 165.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -132.11 118.06 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -90.75 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.8 mt -91.72 130.73 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 27.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -119.75 -48.98 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 p -128.78 26.7 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 39.97 47.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.4 m -110.0 128.71 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tt -100.47 144.24 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 76.6 m-85 -153.09 134.29 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -59.43 131.29 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 33.5 m -32.61 -63.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' THR . 29.7 mt -35.19 -69.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 93.6 m -51.98 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -34.53 -36.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpp -71.07 -56.37 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 mp0 -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 49.3 t80 -65.47 -62.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -60.61 -32.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.46 -60.74 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 2.6 mp -49.01 -48.05 43.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.21 -41.05 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.002 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.69 -46.28 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HD2' ' NH1' ' A' ' 80' ' ' ARG . 1.3 mmmm -49.84 -45.55 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.18 -68.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.89 -55.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.5 tp -38.12 -59.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -83.29 111.48 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.7 m -84.9 -53.79 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.59 145.17 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.61 85.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.1 t -70.82 -175.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.69 135.47 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.419 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.83 0.26 5.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.602 2.202 . . . . 0.0 112.393 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -109.23 112.14 24.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.23 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 25.48 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 t -98.89 114.7 65.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.02 15.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.393 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -100.56 -45.69 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 65.65 46.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.88 128.77 8.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.7 m80 -85.29 176.52 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.44 141.06 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.28 171.63 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' CE ' ' A' ' 78' ' ' MET . 8.7 tp10 -71.03 -52.9 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -49.24 -45.63 44.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.18 -54.62 43.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.12 -51.96 66.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -39.64 -58.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.57 -44.08 83.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.3 ttm -45.5 -57.86 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.61 170.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.97 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.68 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.04 -39.12 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.9 mm -81.85 -61.39 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.466 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 14.6 tpt -34.86 -55.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -38.51 -48.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.424 ' NH1' ' HD2' ' A' ' 44' ' ' LYS . 86.2 mtt180 -55.58 -45.13 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.47 -55.69 25.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -46.35 -51.57 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -56.59 -52.07 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.65 -50.15 34.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -46.39 -57.79 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 118.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 t -86.9 140.92 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -101.36 10.13 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 54' ' ' PRO . 83.7 mt -108.47 -45.78 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -114.14 -15.35 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt 64.94 51.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -124.69 123.18 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.6 119.89 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 20.2 m-85 -138.91 152.37 70.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.683 0.754 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.53 42.87 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -46.82 -20.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.41 -41.25 85.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.44 38.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.0 mmm -136.94 155.8 49.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 21.5 m -126.67 131.46 51.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.0 m -98.74 133.25 43.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.3 mt -86.28 128.99 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.12 23.46 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.53 HE21 ' N ' ' A' ' 65' ' ' GLN . 18.7 mt-30 -115.9 -45.26 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.8 p -134.03 32.86 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 36.7 43.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -105.01 125.43 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.7 tt -99.7 143.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 74.7 m-85 -153.26 150.08 28.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.4 p -69.34 127.33 32.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.2 m -32.58 -62.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' THR . 45.1 mt -35.57 -68.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 m -46.81 -66.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 7.4 mt -41.06 -45.02 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -54.64 -60.69 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.47 -46.35 86.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 86.4 t80 -49.48 -60.18 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 40' ' ' GLU . 8.2 m -67.03 -36.54 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' N ' HG22 ' A' ' 39' ' ' VAL . 25.4 mt-10 -58.41 -65.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.57 -42.13 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.27 -46.84 79.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 77.8 mt -70.0 -42.51 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.41 -36.61 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -58.3 -58.87 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.07 -41.02 2.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.85 -59.46 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.76 120.71 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -87.88 -30.87 19.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.74 167.15 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.418 ' CG1' HD13 ' A' ' 69' ' ' ILE . 28.0 mm -119.4 93.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -71.24 -178.97 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -72.2 134.78 82.59 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.687 0.756 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.1 Cg_endo -69.85 -4.0 13.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.604 2.203 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.84 105.69 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.77 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.92 38.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 t -89.85 121.79 68.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.25 32.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -109.74 -24.39 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 49.74 50.64 17.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.02 -171.98 45.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -131.91 -177.45 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.325 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 64' ' ' LEU . 4.5 mm? -106.37 107.2 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.533 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -64.52 139.73 58.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.36 -33.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.08 -42.12 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.11 -65.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLU . 22.4 mt -44.11 -48.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ILE . 22.0 tt0 -35.19 -66.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' MET . 17.0 t -72.04 -46.31 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' CYS . 10.1 tpp -36.77 -50.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -108.75 166.14 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.19 170.31 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.32 -58.51 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -39.12 -44.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.4 mm -78.7 -63.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.3 tpt -34.05 -48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -39.3 -49.43 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.19 -58.6 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.466 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 30.9 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -56.65 -38.04 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -60.96 -41.32 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.65 -57.56 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' PHE . 8.5 mm100 -59.87 -55.29 35.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLN . 47.8 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.87 0.367 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 151.94 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -116.22 168.25 10.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -104.28 -45.1 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.31 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.49 -22.8 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 57.16 39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.8 174.6 20.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -97.86 125.07 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -147.64 152.07 40.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.26 27.45 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 18' ' ' GLU . 1.3 p -47.78 -39.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 7.1 pt-20 -51.93 -36.46 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -83.84 -38.28 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.7 mmm -62.32 153.64 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 38.2 m -126.08 130.16 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -102.14 121.56 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mt -74.58 130.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.7 23.86 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -114.83 -47.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.4 p -128.94 26.34 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 39.2 49.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -111.78 121.36 44.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 tt -91.44 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 67.5 m-85 -153.27 144.38 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' THR . 18.6 p -71.38 129.17 38.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' CYS . 88.4 m -32.29 -46.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.35 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.5 -60.92 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.9 mt -46.83 -39.12 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -63.88 -65.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -56.06 -28.23 56.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 68.7 t80 -67.72 -72.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 m -51.92 -17.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -83.77 -45.99 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.52 -32.41 74.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.9 mt -72.79 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.1 -54.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.44 -46.02 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.43 -57.66 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 84' ' ' LEU . . . 98.28 -41.03 2.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -46.24 -61.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.79 80.82 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 t -51.47 -38.91 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.76 142.5 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mm -107.04 88.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.499 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 10.4 t -70.74 -178.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.0 t -78.38 136.6 60.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.86 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -102.7 116.15 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.31 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 41.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.1 t -87.61 109.27 25.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.707 0.765 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -104.8 -25.86 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 52.14 47.72 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.03 173.49 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 11.2 m80 -132.65 177.79 7.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 64' ' ' LEU . 4.4 mm? -98.47 139.99 33.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.33 175.57 9.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.94 -63.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -40.75 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.08 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 15.3 mt -71.74 -53.24 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 42.2 tt0 -34.16 -62.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.86 -41.67 97.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpp -45.22 -52.08 9.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.3 m -108.45 178.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.03 -178.69 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.52 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.26 -45.03 65.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.0 mm -77.49 -58.23 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.2 tpt -34.29 -56.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 36.8 tt0 -35.93 -49.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -50.44 -53.82 26.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.76 -57.37 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.17 -44.02 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -54.04 -49.02 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.468 ' CD2' ' HA2' ' A' ' 46' ' ' GLY . 83.0 mt -57.65 -44.06 85.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.62 -45.06 85.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.843 0.354 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.62 138.13 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 t -97.16 166.53 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -104.64 -15.47 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.61 -61.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.2 p -91.54 4.5 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 1.9 mm? 36.07 47.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -105.78 151.04 17.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -94.53 95.93 9.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.475 ' CE1' ' HA3' ' A' ' 13' ' ' GLY . 8.9 m-85 -115.04 150.15 43.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.656 0.741 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.73 40.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -46.56 -25.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.06 -41.27 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -106.51 44.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.505 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 76.4 mmm -136.89 155.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 22' ' ' THR . 89.6 m -132.75 141.91 48.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.475 ' N ' HG23 ' A' ' 21' ' ' THR . 89.1 m -115.38 132.8 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mt -87.51 126.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.22 0.32 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.017 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -85.79 -60.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.61 25.76 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 41.86 36.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -98.58 132.75 43.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -107.82 137.09 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 89.5 m-85 -145.15 151.24 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -72.75 127.64 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.7 m -32.41 -49.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -41.39 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -53.82 -55.43 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 mt -49.41 -31.6 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -74.33 -68.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -51.93 -30.12 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -62.7 -71.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.431 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 4.5 m -58.91 -24.82 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.89 -61.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.93 -47.19 71.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.38 -56.67 13.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.38 -43.42 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -55.34 -42.58 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.45 -64.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.1 -40.74 2.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.52 -60.07 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.89 86.47 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -69.26 -45.82 68.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.17 23.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CD1' ' HB ' ' A' ' 39' ' ' VAL . 64.9 mt -92.73 88.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -71.88 -176.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.2 t -61.68 135.21 94.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 2.11 3.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.5 130.72 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.24 -3.99 58.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.29 18.07 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.47 115.05 62.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -24.18 29.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -44.84 14.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 67.45 46.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.85 146.42 50.29 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 7.8 t-80 -99.19 165.07 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mm? -100.92 106.87 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -50.66 166.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.4 tt0 -61.42 -62.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 t30 -34.99 -49.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.67 -54.4 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.08 -47.02 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -37.96 -56.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.62 -33.45 58.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.4 ttm -54.85 -65.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 m -92.5 158.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 157.66 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.01 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.54 -45.85 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -77.66 -55.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' GLN . 10.1 tpt -37.13 -55.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' MET . 24.7 tt0 -34.81 -51.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -52.15 -48.42 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' MET . 90.7 t80 -65.4 -40.08 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.25 -47.95 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 31.5 pttt -69.42 -33.08 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 13.7 mt -62.69 -36.46 83.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.82 -43.49 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.885 0.374 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 125.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.9 166.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -105.48 -36.12 7.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.24 -65.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.47 -20.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt 53.77 48.63 20.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.4 142.94 17.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.67 116.68 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.96 151.73 56.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 135.58 30.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -43.17 -24.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.16 -42.19 90.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -96.65 41.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.1 mmm -139.59 160.87 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.441 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.1 m -130.84 132.21 45.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 m -106.39 132.91 51.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 24' ' ' ALA . 21.6 mt -83.09 142.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -95.68 31.14 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -126.7 -43.53 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' GLN . 13.5 p -131.45 28.69 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 45.4 mm-40 35.56 47.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.7 m -108.09 127.39 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.3 tt -101.71 145.26 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 83.7 m-85 -153.36 148.99 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' THR . 19.8 p -70.72 130.27 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' CYS . 25.9 m -35.61 -49.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 85.0 mt -45.03 -69.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.8 m -49.44 -58.11 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.8 mt -49.12 -37.23 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 43.3 tttt -65.44 -68.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -50.73 -42.18 57.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 66.4 t80 -55.74 -72.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.987 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 m -50.46 -40.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' HG11 ' A' ' 73' ' ' VAL . 12.3 mt-10 -51.28 -58.98 4.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.09 -47.13 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 7.1 mp -54.17 -54.75 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.83 -48.11 62.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -54.42 -46.43 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.31 -58.02 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.87 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.36 -59.32 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.99 84.47 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -62.42 -36.03 81.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.95 125.82 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.441 ' CD1' HD12 ' A' ' 69' ' ' ILE . 55.9 mt -97.77 114.7 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -94.86 174.36 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -60.14 134.89 90.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 0.7 5.35 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.32 110.37 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.24 70.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.72 32.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.9 t -101.16 114.74 65.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.29 8.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.5 tppp? -122.76 -19.08 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 60' ' ' LYS . 1.9 pt20 32.08 45.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 125.55 33.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -68.73 169.46 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.67 146.94 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 2.2 mp0 -82.66 155.09 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.17 -40.79 86.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -56.45 -42.93 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.05 -59.61 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 51' ' ' ILE . 68.7 mt -50.24 -40.71 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.68 -46.65 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 48.7 t -76.48 -48.71 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -56.73 3.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 40' ' ' GLU . 4.2 m -111.58 151.05 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.64 172.32 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.77 -55.36 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -40.02 -40.49 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' MET . 46.5 mm -84.78 -61.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ILE . 14.2 tpt -33.11 -48.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -47.71 -48.76 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ILE . 69.8 mtt180 -53.28 -25.86 16.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -88.72 -40.07 13.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -60.08 -51.45 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 34.6 pttt -58.33 -41.91 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 15.1 mt -46.86 -50.52 18.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.69 -55.27 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 5.6 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.361 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.2 83.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.55 154.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -96.69 -28.97 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 88.3 mt -76.62 -70.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 p -91.94 -26.4 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 11' ' ' CYS . 1.2 mp 56.63 54.55 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -80.92 -9.02 86.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 66.94 53.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 34.5 m-85 -90.9 152.77 44.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.647 0.736 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 143.78 51.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -40.74 -37.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -49.77 -43.67 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.27 47.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.4 mmm -147.13 162.24 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.3 m -131.46 129.57 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -100.23 125.79 46.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -78.43 128.19 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.69 21.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -115.79 -45.95 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' GLN . 11.8 p -131.55 31.71 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' CYS . 77.3 mm-40 34.4 42.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.41 122.53 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 tp -93.35 144.74 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 43.0 m-85 -153.24 140.89 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.0 p -67.82 131.75 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 97.4 m -32.45 -65.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' THR . 12.7 mt -35.85 -67.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 19.0 m -45.61 -59.04 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 8.0 mt -51.04 -34.8 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.93 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -32.27 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 75.8 t80 -62.84 -72.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 m -51.34 -35.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.59 -65.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.38 -43.19 23.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 38' ' ' TYR . 12.6 mt -58.24 -59.95 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 61.8 mt -52.18 -56.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.2 mptm? -37.72 -43.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.18 -68.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.61 -37.97 3.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.29 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.72 134.67 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -94.34 -29.1 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.63 161.22 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.5 mm -109.22 110.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.6 p -84.47 -177.59 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.93 135.73 85.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 3.15 2.95 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 62.7 t0 -102.8 143.2 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -93.01 -35.27 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.81 33.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.2 t -102.95 100.03 15.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.99 35.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -42.15 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 66.93 47.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.9 120.51 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -84.97 162.19 19.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.97 117.74 31.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.12 -175.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 20.0 tt0 -74.92 -49.72 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 11.8 t30 -36.62 -65.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' ILE . 13.7 mp0 -48.83 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' GLU . 85.2 mt -37.8 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' ILE . 38.1 tt0 -35.51 -44.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.64 -48.75 20.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -58.61 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.45 150.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -174.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.98 58.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -43.24 -32.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 78' ' ' MET . 23.1 mm -91.01 -59.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.3 tpt -34.18 -44.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -46.52 -50.05 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -48.43 -49.46 35.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -59.01 -55.41 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -53.83 -41.45 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -59.34 -38.53 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.26 -57.41 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 86' ' ' PHE . 33.3 mt-30 -58.63 -56.2 25.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 85' ' ' GLN . 15.0 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.14 122.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 21.8 t -82.23 118.07 22.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -63.06 -5.64 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 30' ' ' PHE . 26.3 mt -101.62 -64.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' LEU . 27.6 p -95.96 19.48 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.7 tp 32.85 48.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.613 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -115.03 135.99 12.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.31 105.99 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 23.3 m-85 -128.78 152.64 79.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.683 0.754 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.43 53.91 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 m -51.1 -20.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.02 -37.65 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -104.97 34.91 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.4 mmm -135.28 153.36 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -131.92 129.52 40.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -103.97 125.27 50.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -80.88 136.76 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 28.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.055 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -115.45 -43.87 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -131.32 16.59 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 50.67 43.94 27.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.2 m -105.92 139.35 40.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 tt -113.5 143.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 66.2 m-85 -153.16 154.61 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 p -78.7 132.62 37.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 86.8 m -32.46 -65.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -33.96 -58.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 3.6 m -57.59 -67.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 4.1 mt -47.77 -23.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -76.36 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -57.36 -38.35 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 92.2 t80 -55.21 -67.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -60.97 -36.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.94 -65.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -49.18 -48.8 44.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 mt -51.83 -43.14 63.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.93 -40.56 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -61.63 -35.72 78.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.14 -58.61 7.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.68 30.94 9.86 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -110.26 -75.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -87.18 100.8 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -55.53 -61.95 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.78 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -104.17 112.32 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 p -88.43 -178.06 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.39 135.62 96.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.568 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.5 Cg_endo -69.81 0.98 4.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.61 116.39 32.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.29 -11.67 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.63 24.63 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.75 108.51 40.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -100.37 -30.09 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 53.49 48.89 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.83 125.65 30.86 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -80.21 167.98 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 64' ' ' LEU . 4.4 mm? -104.57 121.79 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -69.84 151.7 45.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 38.5 tt0 -51.1 -52.51 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 p30 -36.71 -48.62 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.41 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' GLU . 52.7 mt -48.15 -45.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ILE . 7.9 tm-20 -35.17 -66.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.21 -42.51 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.0 tpp -38.39 -48.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.68 173.56 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.99 178.2 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.85 -41.11 10.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.8 mm -80.8 -63.44 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.1 tpt -34.38 -46.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -46.3 -50.82 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -51.43 -51.92 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.35 -56.4 11.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.15 -44.48 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -56.07 -44.8 79.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.65 -40.51 75.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -64.68 -53.17 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.954 0.407 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.01 105.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -67.08 168.17 10.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -106.1 -41.15 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.36 -67.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -79.94 -24.38 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.74 50.13 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.93 141.84 17.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.86 113.15 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -141.05 152.63 65.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.81 68.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.56 -21.06 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.44 40.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.0 mmm -138.33 158.99 43.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -133.27 127.94 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -107.55 137.61 45.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 5.8 mt -85.66 148.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.58 8.26 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.432 ' OE1' ' NZ ' ' A' ' 60' ' ' LYS . 9.5 mm-40 -99.01 -63.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -104.88 -5.26 21.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 0.1 OUTLIER 66.02 49.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.23 129.55 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.2 tt -96.68 141.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 62.2 m-85 -152.79 146.15 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.9 p -71.54 125.95 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 31' ' ' CYS . 22.3 m -32.0 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -44.34 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.2 -67.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 10.0 mt -39.25 -41.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.38 -54.87 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.03 -28.57 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -69.22 -59.1 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 43' ' ' ILE . 14.5 m -64.44 -24.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 39' ' ' VAL . 8.3 mt-10 -76.63 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.76 -39.61 52.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.83 -57.21 7.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 39' ' ' VAL . 36.6 mt -55.99 -56.65 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -40.25 -41.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -52.99 -59.83 4.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.18 -49.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -78.47 145.78 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -108.72 -42.34 4.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.88 153.34 22.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mm -115.48 86.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.8 m -62.11 179.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.73 135.47 83.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -73.5 153.19 40.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.37 -24.05 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.58 49.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -103.63 101.91 27.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.1 32.24 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.739 2.292 . . . . 0.0 112.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 25' ' ' GLN . 5.5 tmtt? -92.21 -37.24 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 59.99 53.41 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.9 134.67 13.32 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -87.81 169.82 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.57 125.97 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.75 158.11 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.93 -58.32 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -38.67 -46.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.84 -61.08 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLU . 53.2 mt -53.84 -53.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' ILE . 34.9 tt0 -37.28 -64.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.19 -46.67 76.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.5 ttm -41.08 -51.72 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.58 179.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -100.31 152.89 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -36.48 -55.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -42.08 -50.48 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.4 mm -73.84 -58.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.2 tpt -35.34 -57.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 25.6 tt0 -36.72 -53.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.75 -47.18 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -54.96 -52.48 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -59.03 -47.27 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -47.61 -47.05 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.37 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.99 -49.45 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.76 104.92 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 t -62.43 165.8 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -108.63 -20.06 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 15.2 mt -88.4 -59.23 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 13' ' ' GLY . 24.6 p -103.32 15.19 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.6 tp 34.31 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -91.56 142.74 16.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 112.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 18.0 m-85 -133.78 151.82 77.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.74 0.781 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.84 121.42 8.09 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.595 2.197 . . . . 0.0 112.366 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -35.09 -31.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' PRO . 54.0 mm-40 -51.58 -54.92 22.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.39 -39.52 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.7 mmm -54.08 166.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 99.8 m -133.19 105.46 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -80.54 121.39 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 mt -77.9 135.41 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.02 25.29 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -118.25 -47.06 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 20.4 p -128.88 27.38 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 36.54 49.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 60.8 m -111.93 122.85 48.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 15.7 tt -93.52 141.29 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 55.9 m-85 -152.99 138.77 17.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -66.44 132.2 47.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 97.7 m -35.47 -65.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 3.9 mm? -32.27 -67.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 51.4 m -48.35 -66.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.5 mt -40.19 -43.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.05 -63.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.02 -38.55 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 61.9 t80 -58.26 -71.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' O ' ' CD1' ' A' ' 43' ' ' ILE . 10.5 m -51.69 -24.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.94 -57.34 4.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.97 -37.13 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.5 mt -69.28 -54.91 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 39' ' ' VAL . 22.9 mt -50.67 -54.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -44.81 -41.47 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.36 -58.8 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.441 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 86.81 37.02 8.78 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.2 tp -104.33 -63.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -95.43 93.01 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 p -41.13 -35.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.33 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.0 mm -87.88 97.81 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -65.57 175.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.51 135.79 94.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.2 Cg_endo -69.73 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -95.45 161.75 13.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.61 -21.27 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.42 43.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.81 102.12 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -94.05 -35.88 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 60.24 48.77 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.49 136.33 18.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.65 168.01 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.5 mm? -101.33 123.22 45.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.58 143.12 46.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -44.9 -38.97 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -40.92 -34.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -84.38 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' GLU . 3.7 mp -37.41 -45.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' ILE . 12.8 tm-20 -37.14 -67.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 85.6 m -76.25 -42.27 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 ttm -40.39 -52.63 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.26 150.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.68 -176.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.09 -57.3 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 79' ' ' GLN . 2.6 pt-20 -47.17 -21.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.4 mm -92.46 -48.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 tpt -54.16 -37.74 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -45.76 -46.98 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -58.99 -53.6 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.626 ' CD2' ' NE2' ' A' ' 85' ' ' GLN . 30.3 t80 -51.56 -60.65 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -41.94 -39.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -70.83 -45.7 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 11.9 mt -52.83 -54.8 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.626 ' NE2' ' CD2' ' A' ' 81' ' ' TYR . 13.6 mt-30 -55.24 -45.65 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.4 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.58 156.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.72 166.6 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -104.65 -32.02 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.5 mt -78.52 -70.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -78.27 -23.24 47.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt 59.87 50.74 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.7 -175.44 21.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' C ' ' CG ' ' A' ' 15' ' ' TYR . 4.9 tt0 -109.52 128.3 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CG ' ' C ' ' A' ' 14' ' ' GLU . 8.0 m-85 -156.9 151.12 19.86 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.71 61.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.9 -14.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.18 -47.0 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.59 -39.48 64.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.429 ' HB3' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mmm -56.98 164.83 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -130.81 122.58 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -91.83 122.12 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.8 mt -77.79 135.75 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.09 21.73 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -117.85 -43.5 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' GLN . 19.5 p -131.17 25.0 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 37.28 51.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 m -109.31 147.97 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 20' ' ' MET . 13.1 tt -118.18 139.14 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.6 m-85 -151.87 144.16 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -65.36 128.49 36.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' LEU . 99.0 m -32.83 -60.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 33.1 mt -34.02 -67.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' LEU . 94.4 m -50.78 -72.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 mt -37.47 -35.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.56 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -56.34 -33.32 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.64 -71.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 HG22 ' CG1' ' A' ' 73' ' ' VAL . 5.8 m -56.36 -39.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.18 -58.78 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' N ' HD21 ' A' ' 41' ' ' LEU . 4.3 mm? -53.12 -38.35 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.79 -68.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.7 mt -51.96 -20.14 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -89.52 -28.45 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.85 -59.89 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.0 -32.5 7.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.95 -68.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -81.04 105.14 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.9 m -73.11 -38.83 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.13 141.03 36.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.3 82.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -64.63 179.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.404 ' SG ' ' HD2' ' A' ' 54' ' ' PRO . 48.1 t -72.6 136.78 80.58 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 53' ' ' CYS . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.389 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -108.93 115.59 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.95 -9.17 57.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.34 28.54 7.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 t -91.95 107.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -14.17 35.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -92.55 -29.54 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 56.15 45.67 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.58 140.42 17.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -94.86 179.7 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.2 152.87 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -88.07 165.98 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.22 -63.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -45.65 -42.23 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.45 -40.67 92.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -73.21 -54.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 10.5 tt0 -34.14 -61.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.07 -38.75 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.1 ttm -55.34 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.418 ' CG1' HG22 ' A' ' 39' ' ' VAL . 11.3 m -86.95 173.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.39 175.86 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.34 91.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.75 -43.42 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' MET . 40.9 mm -81.15 -57.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.5 tpt -36.06 -45.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -52.04 -50.91 60.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -54.53 -25.33 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -80.27 -44.13 20.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -54.55 -54.46 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.91 -35.93 81.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.11 -39.31 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -66.04 -28.46 68.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.842 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.56 133.13 2.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.42 166.78 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -103.99 -36.97 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 20.8 mt -78.19 -73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -72.55 -15.83 61.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 mt 53.0 45.0 29.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.86 -161.17 25.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -137.22 107.96 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.68 152.26 78.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.711 0.767 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' VAL . 53.3 Cg_endo -69.86 122.31 8.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' PRO . 34.6 m -35.66 -40.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -47.65 -50.08 25.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -74.33 -40.91 61.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.427 ' CE ' HG12 ' A' ' 29' ' ' ILE . 33.6 mmm -55.97 168.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -128.76 115.44 17.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.5 m -87.02 125.7 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mt -77.36 127.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.71 23.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -117.51 -46.94 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.1 p -130.72 32.53 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 mm-40 34.57 47.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.7 m -110.77 130.19 55.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG12 ' CE ' ' A' ' 20' ' ' MET . 13.4 tt -102.49 143.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.5 m-85 -153.06 133.5 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.6 p -59.41 126.06 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 63.0 m -32.44 -50.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' LYS . 40.1 m -62.69 -69.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 1.2 tt -35.73 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpt -72.6 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.52 -46.76 80.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 34.6 t80 -45.48 -67.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.003 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 40' ' ' GLU . 22.9 m -52.77 -31.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' HG23 ' A' ' 39' ' ' VAL . 6.4 mt-10 -66.53 -63.08 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.11 -40.81 11.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -62.69 -59.79 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.84 -47.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -47.13 -39.08 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.15 -71.18 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' CA ' HD21 ' A' ' 84' ' ' LEU . . . 87.28 46.1 5.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.55 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.84 -29.15 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -88.96 -27.59 20.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m 54.23 29.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.73 142.64 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG2' HG13 ' A' ' 39' ' ' VAL . 17.0 mm -99.24 88.69 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -76.87 -174.61 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.03 135.08 82.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 1.9 4.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.375 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -99.57 137.86 37.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.56 -25.75 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.27 35.8 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.7 t -92.06 115.1 64.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.75 29.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -85.6 -38.18 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 59.09 50.2 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.15 -169.76 42.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -141.36 178.18 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.64 137.55 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -70.43 138.71 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -44.29 -53.1 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.54 -51.09 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.09 -58.68 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 12.8 mt -52.86 -57.06 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 4.0 tm-20 -34.76 -58.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.41 -45.41 69.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.4 ttm -47.44 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -94.83 139.72 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 167.58 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.05 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -38.37 -41.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.6 mm -79.66 -62.4 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.3 tpt -33.91 -43.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -48.44 -50.19 32.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ILE . 52.0 mtt-85 -49.95 -52.32 34.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -59.71 -56.16 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -49.41 -38.32 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -40.19 81.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD21 ' CA ' ' A' ' 46' ' ' GLY . 52.8 mt -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.89 -45.86 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -78.84 130.4 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -161.34 167.44 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.49 -60.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -81.23 132.67 35.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -105.16 -14.16 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.91 165.01 2.1 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -128.53 143.2 50.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -104.05 6.86 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.28 -59.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -99.07 4.48 47.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? 49.57 40.83 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.66 151.18 16.99 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.02 136.88 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -152.6 149.64 22.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.68 68.9 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.19 -16.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.67 -42.39 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -103.7 40.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.2 mmm -135.26 163.56 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -138.24 116.08 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -89.02 114.47 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.34 124.11 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.63 24.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.746 ' NE2' HE21 ' A' ' 65' ' ' GLN . 5.7 mp0 -116.44 -43.1 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.6 p -134.38 33.16 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' CYS . 20.6 mm-40 36.16 44.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.4 m -108.22 120.13 41.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 20.3 tt -101.52 143.37 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 52.7 m-85 -152.62 152.94 32.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -71.14 125.9 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 39.8 m -32.34 -58.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 36.7 mt -35.96 -69.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -48.92 -68.64 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -38.7 -40.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -63.58 -52.26 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 3.9 mp0 -64.6 -29.05 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -69.04 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 m -57.92 -35.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.17 -60.76 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -45.63 -41.36 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.83 -61.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 44' ' ' LYS . 39.3 mt -51.81 -55.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ILE . 22.8 mtpt -36.42 -44.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.49 39.29 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.08 -32.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -138.6 134.81 34.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 50' ' ' ALA . 9.8 t -90.02 -42.94 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.466 ' N ' HG22 ' A' ' 49' ' ' THR . . . -54.88 120.11 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 ' CG1' HD12 ' A' ' 69' ' ' ILE . 25.6 mm -95.81 83.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -59.1 176.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.62 135.92 85.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.84 3.72 2.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.17 119.57 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.44 -23.75 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.0 43.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -98.21 113.24 63.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.55 37.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.26 -20.34 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 45.53 52.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.48 170.32 42.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.428 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 1.8 t-80 -121.78 164.26 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.569 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.3 mm? -99.72 109.29 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.746 HE21 ' NE2' ' A' ' 25' ' ' GLN . 65.0 mt-30 -56.56 168.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -66.08 -51.02 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 5.7 p30 -43.18 -46.51 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 -56.61 20.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLU . 21.1 mt -55.13 -54.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' ILE . 43.5 tt0 -34.65 -54.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.3 m -74.28 -46.76 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.9 tpp -43.93 -54.24 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -102.08 171.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 159.29 15.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.65 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.35 -47.83 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.6 mm -72.11 -58.31 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.9 tpt -34.18 -53.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -39.45 -50.29 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -51.68 -46.04 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.9 -38.53 73.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.22 -46.14 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -69.14 -30.83 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.7 mt -65.66 -35.79 81.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.97 -54.71 43.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.67 -52.83 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -39.18 -42.93 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -108.18 81.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.1 p -141.72 130.7 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.56 69.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -4.8 14.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -125.61 -46.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 m -86.03 127.18 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m 49.09 49.24 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -52.14 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.45 -65.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -84.74 110.04 18.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -66.45 -175.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.64 148.28 19.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -106.07 165.74 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -106.26 -30.89 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 15.5 mt -82.84 -73.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.84 -13.11 60.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt 49.2 48.7 20.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.54 153.05 16.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -91.81 104.85 17.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.3 152.19 77.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.752 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 142.69 48.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.387 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 m -48.09 -20.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.08 -36.66 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -104.19 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.3 mmm -138.65 162.93 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -129.38 110.35 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -87.21 119.45 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mt -77.38 132.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.93 21.56 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -111.44 -45.61 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.8 p -130.84 22.36 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 44.22 45.51 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.8 m -109.7 121.31 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -96.11 146.3 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.0 m-85 -153.21 144.3 22.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -65.95 129.32 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' CYS . 28.3 m -32.7 -62.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.3 mt -34.43 -68.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' LYS . 71.7 m -58.37 -70.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD1' ' HE1' ' A' ' 72' ' ' MET . 0.4 OUTLIER -37.38 -27.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' CYS . 24.6 ttpt -82.78 -59.98 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -55.41 -26.58 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 42' ' ' LEU . 74.9 t80 -65.34 -70.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -54.26 -33.52 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.115 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -65.13 -62.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 3.1 mp -51.43 -41.84 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mt -58.01 -40.07 79.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 80' ' ' ARG . 83.8 mt -73.3 -38.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.94 -39.6 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.01 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 112.04 -67.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . 16.5 tp -36.55 -69.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.87 145.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 p -123.52 -23.17 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.12 161.17 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.513 HG12 ' CE1' ' A' ' 81' ' ' TYR . 48.0 mm -111.99 81.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -68.6 -178.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.7 t -74.36 135.74 75.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 52.0 t0 -102.3 141.93 34.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -91.89 -33.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.78 41.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.6 t -91.95 107.87 25.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.376 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -107.02 -18.33 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 39.93 53.53 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' ND1' ' A' ' 63' ' ' HIS . . . -81.49 -168.05 39.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.416 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' ND1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -147.62 178.54 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.26 117.92 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.33 141.33 57.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -46.9 -24.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -60.01 -42.69 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.28 -65.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 70' ' ' GLU . 16.8 mt -42.81 -44.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 69' ' ' ILE . 44.3 tt0 -36.46 -65.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 m -76.8 -38.69 53.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.474 ' HE1' ' CD1' ' A' ' 35' ' ' LEU . 15.2 ttm -42.64 -49.28 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 m -113.94 166.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.1 -178.18 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.7 -57.27 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -43.55 -26.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.39 -53.2 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.0 tpt -45.07 -44.47 10.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -47.7 -53.21 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 90.7 mtt-85 -46.35 -58.32 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' CE1' HG12 ' A' ' 51' ' ' ILE . 34.6 t80 -50.93 -55.28 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -55.56 -36.84 67.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -39.23 93.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.29 -54.7 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.66 -51.37 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 70.5 t80 -41.99 -54.42 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 34.8 mt-10 -37.63 -51.84 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -99.14 78.82 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -174.9 108.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -44.54 142.37 3.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 146.79 61.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -130.94 137.23 49.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -119.45 176.38 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.766 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.25 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.451 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -54.4 122.52 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -48.89 -61.12 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.37 101.04 2.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -165.32 117.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -80.82 -21.65 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.53 120.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.568 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.56 166.39 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -111.13 -21.19 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.22 -56.85 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.86 -0.47 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp 44.9 43.72 7.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -107.76 141.09 15.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.65 113.1 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 9.2 m-85 -131.93 150.72 76.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.678 0.752 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 136.38 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -39.46 -41.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.36 -44.27 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -97.32 39.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.0 mmm -134.29 154.77 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.458 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 73.5 m -129.21 128.85 44.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.141 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -107.22 121.54 44.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mt -72.13 136.66 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.54 26.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -120.37 -45.97 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.5 26.78 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 37.69 47.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -110.01 121.95 46.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 tt -100.68 140.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 87.4 m-85 -147.06 160.81 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.0 p -79.61 129.78 34.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 98.7 m -32.84 -63.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 39.6 mt -33.05 -67.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -50.68 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.0 mt -43.5 -27.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -75.16 -62.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -25.56 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -69.8 -65.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 m -61.73 -21.38 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.8 -57.25 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.5 mm? -53.83 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.92 -56.32 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.1 mt -53.01 -56.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -45.94 -39.48 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.08 -73.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.88 -53.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 tt -38.62 -50.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.93 110.12 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.5 p -86.71 -49.12 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.62 113.19 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.39 93.84 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -73.72 178.87 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.69 136.17 96.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.403 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -113.49 100.42 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.55 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.64 26.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.6 t -89.88 108.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -4.85 14.81 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -103.46 -26.21 12.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 49.01 54.25 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.71 145.77 25.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 14.7 t-80 -101.28 165.44 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.4 mm? -100.49 112.0 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.1 165.54 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.42 -63.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -43.72 -38.72 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -75.08 -49.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ILE . 19.0 tt0 -38.04 -67.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.86 -36.11 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.1 tpp -58.77 -70.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.99 173.61 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.97 167.62 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.38 -42.19 73.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pm0 -59.36 -23.06 62.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.5 mm -95.58 -59.73 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.5 tpt -34.97 -45.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -46.28 -50.41 16.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -54.55 -37.67 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -77.07 -25.76 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -66.01 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 10.3 pttp -72.46 -36.16 68.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 12.3 mt -58.43 -32.95 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -74.55 -43.66 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' GLU . 42.2 t80 -57.37 -44.74 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' PHE . 25.9 mt-10 -36.76 -56.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -110.1 82.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -170.18 157.14 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.89 101.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -42.04 3.76 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -50.06 -46.26 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.8 m -96.97 93.99 6.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.501 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -60.59 -57.68 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 40.15 41.63 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.28 -126.0 1.73 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.448 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -89.27 143.13 27.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.815 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -102.53 -22.57 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.21 149.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.0 t -110.92 164.25 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.396 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -101.54 -37.73 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -73.31 -72.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.95 -24.06 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt 57.93 47.99 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.96 -148.55 14.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -146.75 114.62 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.43 153.57 68.64 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.731 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.74 54.96 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 m -47.46 -19.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.63 -39.44 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -97.75 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.8 mmm -139.44 162.79 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -133.69 126.65 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -98.65 138.06 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -95.22 126.69 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 25.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -116.31 -44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.8 p -133.28 29.75 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 37.06 47.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -109.38 131.92 54.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 tt -109.85 143.64 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.3 m-85 -152.51 146.99 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -66.98 124.57 23.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 31.8 m -32.41 -48.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -41.99 -68.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 92.7 m -51.32 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.5 mt -38.22 -44.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -57.52 -56.86 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.24 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 85.9 t80 -66.86 -65.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.2 m -58.88 -25.5 29.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.95 -60.8 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 41' ' ' LEU . 4.4 mm? -49.82 -43.69 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.66 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.86 -43.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -55.15 -40.37 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.84 -69.03 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.51 -34.06 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.98 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -92.03 124.53 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 t -90.82 -32.38 16.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.57 134.64 37.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -96.86 81.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -61.49 176.63 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.22 134.84 95.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.477 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 54.7 Cg_endo -69.76 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -121.18 106.49 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.12 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.36 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.4 t -43.99 117.61 2.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -19.33 35.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -95.09 -36.27 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 55.3 47.25 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.53 172.37 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 20.3 t-80 -108.99 164.71 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 mm? -96.49 115.58 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -54.66 147.88 13.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -52.97 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.94 -45.74 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -55.45 -57.27 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 30.2 mt -58.04 -47.53 86.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.21 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 26.8 tt0 -34.61 -58.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 94.1 m -80.25 -46.41 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.5 tpp -39.14 -48.7 1.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.67 162.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.71 175.85 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.29 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.09 -38.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 29.2 mm -82.5 -61.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.1 tpt -35.06 -50.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -41.92 -51.09 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -55.04 -49.38 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -53.6 -51.58 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -53.33 -41.44 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -58.08 -45.44 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.5 -53.03 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -43.5 -49.99 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLU . 13.3 t80 -68.1 -52.77 31.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' PHE . 21.4 mt-10 -34.79 -44.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 89' ' ' SER . 27.6 mtp180 -79.33 -47.02 16.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' ARG . 3.1 m -34.3 -46.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.09 164.86 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -46.99 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 m -133.14 131.77 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -120.64 81.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -71.8 119.79 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 m -86.36 -53.1 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.1 84.88 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -98.62 112.34 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -83.0 -21.95 33.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 151.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -106.48 167.41 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -109.4 -24.46 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -87.12 -54.07 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.2 -7.06 30.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 42.56 54.2 4.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.426 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -113.56 156.68 15.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -86.28 110.86 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 20.6 m-85 -142.01 150.43 56.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.45 37.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -45.56 -24.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.47 -44.06 96.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.68 37.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.3 mmm -137.34 156.21 48.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 96.4 m -130.69 129.17 42.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -99.92 129.35 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.0 mt -78.39 132.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.45 25.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.7 -51.65 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.2 p -122.45 18.75 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 47.2 46.21 16.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.6 m -108.69 120.28 42.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.72 141.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 72.1 m-85 -151.07 140.67 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -66.36 130.32 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' CYS . 95.7 m -32.67 -58.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 69.6 mt -36.12 -68.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.4 m -49.93 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.4 mt -38.57 -40.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -60.25 -62.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -56.65 -44.51 81.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 60.3 t80 -52.52 -72.18 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 13.1 m -50.7 -44.54 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 4.9 mt-10 -51.79 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.2 mp -48.61 -61.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.1 mt -41.86 -36.88 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.62 -37.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' CE ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.36 -30.65 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -70.26 -62.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.76 -33.65 6.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.37 -68.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -87.09 109.02 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -74.68 -35.35 62.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.01 145.15 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.0 mm -105.1 79.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.2 p -61.37 -177.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 t -73.99 136.08 76.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.65 3.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -107.05 111.86 24.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.62 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.06 21.3 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.1 t -85.89 111.42 37.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -19.46 36.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -37.3 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.6 52.95 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 179.55 41.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 2.3 t-80 -134.51 164.11 28.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.2 mm? -100.38 113.68 26.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.84 -52.51 65.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -44.27 -43.46 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.23 -53.1 60.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 17.3 mt -61.55 -53.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -35.03 -49.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.9 m -77.92 -46.06 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 ttm -48.81 -61.05 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.12 157.67 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.93 -175.86 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -56.56 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -44.77 -24.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.8 mm -94.99 -59.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ILE . 15.7 tpt -34.05 -46.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -47.28 -51.41 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' HD3' ' CE ' ' A' ' 44' ' ' LYS . 20.2 mtp85 -54.64 -27.81 42.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 9.3 t80 -87.81 -32.99 18.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -67.65 -58.15 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -41.55 -44.86 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.79 -38.34 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.29 -48.86 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' GLU . 68.1 t80 -58.19 -62.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 86' ' ' PHE . 5.1 mm-40 -35.78 -49.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -100.44 47.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 86' ' ' PHE . 5.2 t -101.41 147.5 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.79 -113.99 0.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.7 m -129.65 91.61 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.0 p -96.19 -60.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -61.12 116.55 4.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -142.21 113.57 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 73.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -161.01 110.48 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -89.53 -19.38 25.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.44 162.69 1.31 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.7 t -124.98 164.19 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.15 -32.23 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.84 -75.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.23 -14.98 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mt 47.55 47.82 17.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.34 -161.97 25.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.18 115.88 18.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -144.87 150.67 47.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.712 0.768 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.81 26.45 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.09 -33.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -48.83 -45.58 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.28 45.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.489 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 50.0 mmm -142.23 158.26 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 22' ' ' THR . 15.6 m -132.12 148.08 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' THR . 95.8 m -118.37 138.26 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mt -96.36 121.49 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.11 -14.75 61.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.4 -54.47 23.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 p -127.39 26.95 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 41.27 42.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.7 m -102.45 129.81 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -100.86 130.5 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 43.1 m-85 -139.74 139.9 36.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -64.83 130.88 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' LEU . 84.9 m -33.72 -62.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.7 mp -33.55 -63.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.6 -61.37 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.17 -32.04 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -70.99 -68.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.25 -46.84 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 54' ' ' PRO . 56.7 t80 -50.93 -71.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.09 -33.31 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.72 -59.98 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.24 -49.76 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -48.05 -52.98 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.19 -44.74 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -57.25 -23.21 46.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.52 -70.27 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 118.48 -61.79 0.45 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLY . 17.7 tp -36.66 -53.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -73.51 133.36 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -99.99 -32.17 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.35 164.1 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.08 86.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.8 t -65.44 170.27 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 t -56.17 134.31 75.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.727 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.73 3.01 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.03 118.11 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 6.26 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.24 23.41 11.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.02 120.37 61.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.85 36.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLN . 28.9 tttm -110.26 -13.01 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' LYS . 21.1 mt-30 35.95 52.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.97 128.2 19.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.2 m80 -75.81 -176.58 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.85 138.61 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.37 144.47 56.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -56.44 -41.32 76.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -46.34 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.01 -57.22 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLU . 17.3 mt -52.43 -51.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ILE . 35.0 tp10 -35.54 -64.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.76 -37.02 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.9 tpp -47.75 -61.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.43 171.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.01 149.25 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -38.24 -48.35 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -46.61 -42.55 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' MET . 35.8 mm -85.03 -54.12 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ILE . 8.8 tpt -36.74 -50.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -44.16 -48.93 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.4 mtp180 -48.43 -48.08 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.21 -42.22 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -54.82 -49.94 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -61.81 -41.49 97.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 18.7 mt -53.96 -50.98 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -54.54 -51.78 64.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -45.19 -55.53 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -40.51 -46.54 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -124.83 83.87 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.2 t -169.48 143.52 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 121.55 -150.5 17.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.548 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.47 0.61 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 t -85.54 -55.94 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -51.04 -60.45 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.2 m 37.38 41.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -144.4 127.83 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 100.18 1.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -156.06 117.66 3.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -93.58 -18.67 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.97 157.78 14.75 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -112.0 166.46 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -99.05 -25.08 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 30.3 mt -93.02 -74.77 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' LEU . 28.0 p -77.8 4.69 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 4.5 mm? 33.1 45.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.514 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -101.86 144.76 16.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -85.45 101.61 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.514 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 8.0 m-85 -123.39 150.81 61.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.747 . . . . 0.0 110.954 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 18' ' ' GLU . 27.0 m -41.69 -39.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 17' ' ' VAL . 12.7 tt0 -46.36 -43.09 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.5 40.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.3 mmm -136.85 157.12 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -127.58 125.12 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.4 m -101.55 133.01 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.31 131.56 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.68 25.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -115.26 -42.28 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.2 p -132.94 17.94 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 48.1 41.45 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.537 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -104.8 134.63 47.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.49 145.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 68.3 m-85 -152.31 156.15 39.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -77.19 126.13 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 19.8 m -32.37 -56.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -36.99 -62.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 99.5 m -57.68 -71.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.0 mt -37.61 -34.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -67.99 -52.34 36.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.38 -26.56 64.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 83.8 t80 -67.78 -62.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' ILE . 5.7 m -63.49 -25.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.89 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.94 -40.52 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 HD13 ' CZ ' ' A' ' 38' ' ' TYR . 25.6 mt -62.39 -53.86 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' VAL . 33.4 mt -59.13 -50.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -51.68 -36.93 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.64 -50.06 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.55 -45.3 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.5 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -56.21 116.29 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -95.18 -26.65 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.81 133.88 54.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.537 HG12 ' CE1' ' A' ' 81' ' ' TYR . 49.2 mm -90.06 83.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t -69.3 -179.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.3 135.36 91.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.85 -5.58 16.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.64 118.5 36.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -48.23 59.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.69 -35.78 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.5 t -41.27 106.59 0.44 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -12.89 33.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -92.73 -39.34 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.54 54.96 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 141.55 22.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -84.52 170.91 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.57 141.0 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -73.03 136.65 45.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.8 -40.47 13.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.43 -58.22 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 81' ' ' TYR . 16.7 mt -52.18 -37.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.73 -59.4 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -66.09 -38.79 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 tpp -51.56 -65.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.0 m -91.39 170.18 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 153.0 18.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.52 -50.42 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -44.73 -41.2 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -88.16 -58.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.7 tpt -35.39 -41.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -49.51 -48.71 47.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.6 mtp-105 -53.36 -55.95 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' HG12 ' A' ' 51' ' ' ILE . 27.6 t80 -51.15 -55.84 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -54.3 -44.1 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -60.77 -51.41 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.3 mt -47.78 -47.44 30.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.86 -51.69 66.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -41.22 -49.36 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -53.45 -47.89 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -116.93 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.6 t -146.73 110.37 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 158.07 -97.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 136.29 32.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.419 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -137.81 105.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.1 m -60.67 -47.66 85.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.565 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 58.37 42.52 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -166.07 159.93 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.12 -80.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -50.19 154.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -112.14 -24.4 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.02 152.65 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.04 164.38 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -102.82 -14.44 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 3.88 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.4 mm? 39.32 45.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 15' ' ' TYR . . . -102.32 136.61 12.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.13 102.86 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 10.7 m-85 -125.88 150.74 69.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 142.52 48.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -48.25 -21.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -66.9 -36.66 82.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -99.16 36.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.5 mmm -135.5 160.17 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 m -129.56 124.14 33.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 m -95.62 138.92 32.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.9 128.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.55 22.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -112.63 -47.31 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.02 22.06 4.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 9.9 mm-40 42.67 47.97 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -110.36 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 14.4 tt -99.62 142.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 42.5 m-85 -152.72 147.76 26.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.3 p -67.94 126.21 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 40.2 m -32.05 -52.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 mt -39.25 -68.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.7 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 mt -39.56 -37.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.05 -69.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -51.11 -38.42 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 54' ' ' PRO . 51.7 t80 -54.71 -72.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 HG12 ' CG2' ' A' ' 51' ' ' ILE . 6.6 m -54.12 -34.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -52.88 -52.6 56.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.2 mm? -62.05 -42.18 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.439 HD22 ' CG ' ' A' ' 48' ' ' GLU . 3.5 mp -58.7 -52.13 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.34 -45.4 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -59.81 -37.34 78.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.96 -66.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 114.64 -50.57 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 tp -48.79 -50.49 33.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' CG ' HD22 ' A' ' 42' ' ' LEU . 5.0 tt0 -78.02 77.82 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -55.51 -34.49 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.82 170.78 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.412 ' CG2' HG12 ' A' ' 39' ' ' VAL . 13.0 mm -120.91 86.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -65.05 174.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.22 136.57 91.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.695 0.759 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.81 4.87 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.609 2.206 . . . . 0.0 112.41 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -104.53 155.5 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -34.56 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.18 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.81 105.19 17.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -106.07 -28.45 10.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 47.83 53.33 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.94 156.5 20.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -104.76 176.19 5.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.86 150.5 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.0 168.21 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.43 -45.56 53.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -58.58 -39.53 80.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.86 -57.33 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.71 -46.24 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -38.11 -62.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.9 t -74.94 -37.4 62.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -45.77 -59.12 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -102.66 170.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.54 172.38 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.79 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.29 -51.33 14.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 78' ' ' MET . 43.6 mm -71.54 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.8 tpt -36.45 -50.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -46.93 -47.77 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.4 mtp-105 -59.47 -48.2 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.72 -30.27 71.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 3.0 pttm -72.37 -29.2 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 14.5 mt -66.75 -47.84 71.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.02 -45.57 73.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -45.57 -41.45 9.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.09 -49.36 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.8 23.79 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -134.92 116.31 14.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.09 168.45 36.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' PRO . 35.2 t -33.59 117.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -81.53 106.2 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -107.01 130.99 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -89.55 -51.54 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.9 68.23 3.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.411 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -118.87 138.91 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.51 -23.46 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.3 132.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 t -87.51 165.91 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -102.49 -37.35 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -72.12 -75.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.45 -24.7 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt 61.38 43.51 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.41 144.14 15.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.9 114.27 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -135.53 152.52 76.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.728 0.775 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.85 43.69 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.36 -25.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -57.47 -48.53 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 12.6 mp0 -92.21 36.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -136.36 158.29 44.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' C ' HD13 ' A' ' 29' ' ' ILE . 54.3 m -132.03 128.68 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -97.59 135.47 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 mt -93.79 144.93 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.32 6.1 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -96.35 -44.95 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 p -131.55 25.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 38.33 44.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -100.23 168.64 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG13 ' N ' ' A' ' 30' ' ' PHE . 3.9 tp -140.31 146.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' N ' HG13 ' A' ' 29' ' ' ILE . 65.5 m-85 -153.38 156.21 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -77.42 124.94 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 62.3 m -32.19 -54.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' THR . 34.0 mt -36.9 -65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 35' ' ' LEU . 84.0 m -56.77 -70.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' CYS . 7.9 mt -36.29 -35.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -63.49 -67.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -58.81 -29.78 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 42' ' ' LEU . 73.1 t80 -61.38 -72.29 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.53 -24.78 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -72.02 -54.92 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.54 -38.26 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 13.6 mt -65.62 -54.13 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.25 -42.94 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -57.07 -27.87 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.71 -69.95 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.98 -31.61 6.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -28.16 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -113.81 142.4 46.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -107.91 -26.75 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.73 124.25 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.1 mm -77.73 101.46 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -77.45 170.27 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.1 130.05 94.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.02 6.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 43.4 t0 -90.23 146.78 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -98.44 -34.66 10.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.85 30.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.7 t -92.52 106.95 20.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.02 37.1 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -92.82 -30.01 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 49.94 52.22 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.26 -177.68 51.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.8 -177.66 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -106.25 139.27 41.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 20.6 mm-40 -85.13 -178.88 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -75.81 -43.85 44.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 12.0 p30 -39.37 -44.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ILE . 43.5 mp0 -72.58 -71.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG22 ' CE ' ' A' ' 78' ' ' MET . 78.2 mt -35.12 -44.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -40.85 -66.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.03 -40.33 62.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 ttm -42.01 -50.6 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 m -113.46 169.77 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.99 159.17 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.0 -54.79 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -43.7 -46.19 7.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.7 mm -75.81 -56.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.469 ' CE ' HG22 ' A' ' 69' ' ' ILE . 10.0 tpt -39.01 -49.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.56 -46.39 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -53.74 -51.98 61.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -54.13 -58.32 7.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -53.38 -35.3 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -66.08 -35.71 81.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.97 -54.1 46.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' ARG . 49.3 mm-40 -57.85 -61.61 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 4.7 t80 -35.14 -56.31 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.85 -39.94 95.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' GLN . 23.3 mmm180 -107.83 83.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.2 p -137.89 161.15 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.4 -140.62 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.13 27.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -50.53 131.16 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.1 m -83.64 83.2 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.441 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -118.04 157.63 26.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -139.8 121.35 15.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.92 -39.8 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -57.06 130.55 46.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.914 0.388 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -99.04 -24.66 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.4 156.25 30.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 t -119.69 167.05 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -103.48 -39.62 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 16.3 mt -74.7 -73.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -76.12 -19.72 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 55.01 46.97 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.0 169.66 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.3 121.11 39.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.39 151.54 47.68 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 132.65 23.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.1 m -44.33 -36.71 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.91 -54.54 23.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.58 -37.96 83.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.9 mmm -58.5 165.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -132.11 118.06 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -90.75 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.8 mt -91.72 130.73 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 27.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -119.75 -48.98 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 p -128.78 26.7 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 39.97 47.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.4 m -110.0 128.71 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tt -100.47 144.24 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 76.6 m-85 -153.09 134.29 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -59.43 131.29 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 33.5 m -32.61 -63.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' THR . 29.7 mt -35.19 -69.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 93.6 m -51.98 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -34.53 -36.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpp -71.07 -56.37 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 mp0 -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 49.3 t80 -65.47 -62.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -60.61 -32.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.46 -60.74 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 2.6 mp -49.01 -48.05 43.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.21 -41.05 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.002 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.69 -46.28 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HD2' ' NH1' ' A' ' 80' ' ' ARG . 1.3 mmmm -49.84 -45.55 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.18 -68.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.89 -55.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.5 tp -38.12 -59.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -83.29 111.48 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.7 m -84.9 -53.79 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.59 145.17 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.61 85.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.1 t -70.82 -175.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.69 135.47 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.419 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.83 0.26 5.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.602 2.202 . . . . 0.0 112.393 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -109.23 112.14 24.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.23 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 25.48 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 t -98.89 114.7 65.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.02 15.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.393 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -100.56 -45.69 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 65.65 46.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.88 128.77 8.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.7 m80 -85.29 176.52 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.44 141.06 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.28 171.63 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' CE ' ' A' ' 78' ' ' MET . 8.7 tp10 -71.03 -52.9 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -49.24 -45.63 44.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.18 -54.62 43.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.12 -51.96 66.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -39.64 -58.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.57 -44.08 83.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.3 ttm -45.5 -57.86 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.61 170.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.97 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.68 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.04 -39.12 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.9 mm -81.85 -61.39 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.466 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 14.6 tpt -34.86 -55.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -38.51 -48.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.424 ' NH1' ' HD2' ' A' ' 44' ' ' LYS . 86.2 mtt180 -55.58 -45.13 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.47 -55.69 25.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -46.35 -51.57 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -56.59 -52.07 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.65 -50.15 34.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -46.39 -57.79 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.78 -54.08 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.68 -46.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -112.62 45.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -87.17 -56.12 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.97 164.2 35.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 98.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.619 2.213 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.5 m -80.25 82.82 6.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.8 t -105.4 110.57 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.421 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -157.08 122.19 4.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -97.99 45.46 1.02 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.48 111.19 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 p -153.34 133.39 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 118.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 t -86.9 140.92 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -101.36 10.13 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 54' ' ' PRO . 83.7 mt -108.47 -45.78 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -114.14 -15.35 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt 64.94 51.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -124.69 123.18 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.6 119.89 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 20.2 m-85 -138.91 152.37 70.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.683 0.754 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.53 42.87 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -46.82 -20.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.41 -41.25 85.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.44 38.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.0 mmm -136.94 155.8 49.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 21.5 m -126.67 131.46 51.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.0 m -98.74 133.25 43.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.3 mt -86.28 128.99 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.12 23.46 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.53 HE21 ' N ' ' A' ' 65' ' ' GLN . 18.7 mt-30 -115.9 -45.26 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.8 p -134.03 32.86 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 36.7 43.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -105.01 125.43 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.7 tt -99.7 143.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 74.7 m-85 -153.26 150.08 28.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.4 p -69.34 127.33 32.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.2 m -32.58 -62.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' THR . 45.1 mt -35.57 -68.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 m -46.81 -66.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 7.4 mt -41.06 -45.02 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -54.64 -60.69 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.47 -46.35 86.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 86.4 t80 -49.48 -60.18 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 40' ' ' GLU . 8.2 m -67.03 -36.54 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' N ' HG22 ' A' ' 39' ' ' VAL . 25.4 mt-10 -58.41 -65.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.57 -42.13 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.27 -46.84 79.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 81' ' ' TYR . 77.8 mt -70.0 -42.51 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.41 -36.61 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -58.3 -58.87 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.07 -41.02 2.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.85 -59.46 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.76 120.71 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -87.88 -30.87 19.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.74 167.15 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.418 ' CG1' HD13 ' A' ' 69' ' ' ILE . 28.0 mm -119.4 93.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -71.24 -178.97 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -72.2 134.78 82.59 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.687 0.756 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.1 Cg_endo -69.85 -4.0 13.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.604 2.203 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.84 105.69 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.77 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.92 38.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 t -89.85 121.79 68.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.25 32.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -109.74 -24.39 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 49.74 50.64 17.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.02 -171.98 45.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -131.91 -177.45 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.325 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 64' ' ' LEU . 4.5 mm? -106.37 107.2 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.533 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -64.52 139.73 58.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.36 -33.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.08 -42.12 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.11 -65.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLU . 22.4 mt -44.11 -48.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ILE . 22.0 tt0 -35.19 -66.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' MET . 17.0 t -72.04 -46.31 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' CYS . 10.1 tpp -36.77 -50.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -108.75 166.14 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.19 170.31 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.32 -58.51 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -39.12 -44.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.4 mm -78.7 -63.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.3 tpt -34.05 -48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -39.3 -49.43 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.19 -58.6 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.466 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 30.9 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -56.65 -38.04 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -60.96 -41.32 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.65 -57.56 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' PHE . 8.5 mm100 -59.87 -55.29 35.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLN . 47.8 t80 -36.9 -56.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -57.49 -52.72 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -94.04 43.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -100.53 39.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.97 -126.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 157.04 61.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 t -69.3 106.64 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.6 t -42.27 -45.41 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.479 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -52.93 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -70.06 123.6 21.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.17 122.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 p -140.54 118.44 11.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -91.79 -19.34 22.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 151.94 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -116.22 168.25 10.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -104.28 -45.1 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.31 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.49 -22.8 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 57.16 39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.8 174.6 20.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -97.86 125.07 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -147.64 152.07 40.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.26 27.45 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 18' ' ' GLU . 1.3 p -47.78 -39.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 7.1 pt-20 -51.93 -36.46 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -83.84 -38.28 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.7 mmm -62.32 153.64 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 38.2 m -126.08 130.16 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -102.14 121.56 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mt -74.58 130.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.7 23.86 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -114.83 -47.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.4 p -128.94 26.34 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 39.2 49.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -111.78 121.36 44.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 tt -91.44 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 67.5 m-85 -153.27 144.38 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' THR . 18.6 p -71.38 129.17 38.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' CYS . 88.4 m -32.29 -46.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.35 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -49.5 -60.92 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.9 mt -46.83 -39.12 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -63.88 -65.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -56.06 -28.23 56.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 68.7 t80 -67.72 -72.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 m -51.92 -17.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -83.77 -45.99 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.52 -32.41 74.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.9 mt -72.79 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.1 -54.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.44 -46.02 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.43 -57.66 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 84' ' ' LEU . . . 98.28 -41.03 2.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -46.24 -61.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.79 80.82 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 t -51.47 -38.91 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.76 142.5 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mm -107.04 88.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.499 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 10.4 t -70.74 -178.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.0 t -78.38 136.6 60.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.86 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -102.7 116.15 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.31 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 41.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.1 t -87.61 109.27 25.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.707 0.765 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -104.8 -25.86 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 52.14 47.72 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.03 173.49 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 11.2 m80 -132.65 177.79 7.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 64' ' ' LEU . 4.4 mm? -98.47 139.99 33.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.33 175.57 9.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.94 -63.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -40.75 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.08 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 15.3 mt -71.74 -53.24 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 42.2 tt0 -34.16 -62.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.86 -41.67 97.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpp -45.22 -52.08 9.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.3 m -108.45 178.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.03 -178.69 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.52 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.26 -45.03 65.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.0 mm -77.49 -58.23 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.2 tpt -34.29 -56.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 36.8 tt0 -35.93 -49.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -50.44 -53.82 26.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.76 -57.37 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.17 -44.02 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -54.04 -49.02 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.468 ' CD2' ' HA2' ' A' ' 46' ' ' GLY . 83.0 mt -57.65 -44.06 85.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.62 -45.06 85.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.43 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -101.89 80.78 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.7 t -174.78 137.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.09 19.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 116.45 4.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.7 m -77.2 98.06 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 m -49.8 111.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -130.74 158.99 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -112.36 117.27 32.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 -115.5 0.92 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.535 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -85.82 144.33 27.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -116.12 -19.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.62 138.13 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 t -97.16 166.53 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -104.64 -15.47 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.61 -61.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.2 p -91.54 4.5 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 1.9 mm? 36.07 47.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -105.78 151.04 17.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -94.53 95.93 9.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.475 ' CE1' ' HA3' ' A' ' 13' ' ' GLY . 8.9 m-85 -115.04 150.15 43.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.656 0.741 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.73 40.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -46.56 -25.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.06 -41.27 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -106.51 44.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.505 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 76.4 mmm -136.89 155.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 22' ' ' THR . 89.6 m -132.75 141.91 48.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.475 ' N ' HG23 ' A' ' 21' ' ' THR . 89.1 m -115.38 132.8 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mt -87.51 126.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.22 0.32 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.017 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -85.79 -60.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.61 25.76 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 41.86 36.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -98.58 132.75 43.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -107.82 137.09 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 89.5 m-85 -145.15 151.24 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -72.75 127.64 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.7 m -32.41 -49.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -41.39 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -53.82 -55.43 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 mt -49.41 -31.6 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -74.33 -68.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -51.93 -30.12 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -62.7 -71.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.431 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 4.5 m -58.91 -24.82 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.89 -61.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.93 -47.19 71.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.38 -56.67 13.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.38 -43.42 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -55.34 -42.58 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.45 -64.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.1 -40.74 2.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.52 -60.07 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.89 86.47 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -69.26 -45.82 68.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.17 23.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.431 ' CD1' ' HB ' ' A' ' 39' ' ' VAL . 64.9 mt -92.73 88.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -71.88 -176.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.2 t -61.68 135.21 94.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 2.11 3.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.5 130.72 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.24 -3.99 58.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.29 18.07 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.47 115.05 62.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -24.18 29.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -44.84 14.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 67.45 46.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.85 146.42 50.29 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 7.8 t-80 -99.19 165.07 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mm? -100.92 106.87 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -50.66 166.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.4 tt0 -61.42 -62.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 t30 -34.99 -49.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.67 -54.4 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.08 -47.02 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -37.96 -56.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.62 -33.45 58.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.4 ttm -54.85 -65.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 m -92.5 158.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 157.66 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.01 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.54 -45.85 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -77.66 -55.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' GLN . 10.1 tpt -37.13 -55.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' MET . 24.7 tt0 -34.81 -51.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -52.15 -48.42 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' MET . 90.7 t80 -65.4 -40.08 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.25 -47.95 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 31.5 pttt -69.42 -33.08 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 13.7 mt -62.69 -36.46 83.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.82 -43.49 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.59 -56.21 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -40.74 -45.49 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -103.14 79.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.0 t -171.37 124.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.29 176.09 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 147.67 63.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.275 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.4 p -64.97 128.42 35.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -132.73 146.62 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.475 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -117.84 131.82 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -81.58 48.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.49 161.51 11.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.414 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 p -164.41 125.3 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m -109.59 -18.57 13.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 125.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.9 166.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -105.48 -36.12 7.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.24 -65.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.47 -20.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt 53.77 48.63 20.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.4 142.94 17.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.67 116.68 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.96 151.73 56.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 135.58 30.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -43.17 -24.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.16 -42.19 90.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -96.65 41.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.1 mmm -139.59 160.87 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.441 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.1 m -130.84 132.21 45.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 m -106.39 132.91 51.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 24' ' ' ALA . 21.6 mt -83.09 142.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -95.68 31.14 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -126.7 -43.53 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' GLN . 13.5 p -131.45 28.69 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 45.4 mm-40 35.56 47.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.7 m -108.09 127.39 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.3 tt -101.71 145.26 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 83.7 m-85 -153.36 148.99 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' THR . 19.8 p -70.72 130.27 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' CYS . 25.9 m -35.61 -49.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 85.0 mt -45.03 -69.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.8 m -49.44 -58.11 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.8 mt -49.12 -37.23 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 43.3 tttt -65.44 -68.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -50.73 -42.18 57.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 66.4 t80 -55.74 -72.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.987 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 m -50.46 -40.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' HG11 ' A' ' 73' ' ' VAL . 12.3 mt-10 -51.28 -58.98 4.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.09 -47.13 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 7.1 mp -54.17 -54.75 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.83 -48.11 62.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -54.42 -46.43 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.31 -58.02 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.87 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.36 -59.32 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.99 84.47 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -62.42 -36.03 81.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.95 125.82 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.441 ' CD1' HD12 ' A' ' 69' ' ' ILE . 55.9 mt -97.77 114.7 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -94.86 174.36 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -60.14 134.89 90.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 0.7 5.35 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.32 110.37 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.24 70.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.72 32.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.9 t -101.16 114.74 65.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.29 8.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.5 tppp? -122.76 -19.08 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 60' ' ' LYS . 1.9 pt20 32.08 45.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 125.55 33.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -68.73 169.46 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.67 146.94 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 2.2 mp0 -82.66 155.09 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.17 -40.79 86.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -56.45 -42.93 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.05 -59.61 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 51' ' ' ILE . 68.7 mt -50.24 -40.71 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.68 -46.65 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 48.7 t -76.48 -48.71 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -56.73 3.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 40' ' ' GLU . 4.2 m -111.58 151.05 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.64 172.32 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.77 -55.36 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -40.02 -40.49 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' MET . 46.5 mm -84.78 -61.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ILE . 14.2 tpt -33.11 -48.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -47.71 -48.76 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ILE . 69.8 mtt180 -53.28 -25.86 16.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -88.72 -40.07 13.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -60.08 -51.45 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 34.6 pttt -58.33 -41.91 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 15.1 mt -46.86 -50.52 18.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.69 -55.27 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 5.6 t80 -43.04 -52.68 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.65 -44.88 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -121.76 84.05 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.5 p -129.06 151.28 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.44 -172.3 41.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 110.22 2.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.5 m -91.94 129.73 37.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.5 t -151.83 132.49 13.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.533 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -109.69 150.13 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.66 142.86 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.63 58.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 m -137.01 156.18 48.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -101.71 -35.41 9.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.2 83.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.55 154.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -96.69 -28.97 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 88.3 mt -76.62 -70.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 p -91.94 -26.4 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 11' ' ' CYS . 1.2 mp 56.63 54.55 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -80.92 -9.02 86.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 66.94 53.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 34.5 m-85 -90.9 152.77 44.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.647 0.736 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 143.78 51.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -40.74 -37.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -49.77 -43.67 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.27 47.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.4 mmm -147.13 162.24 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.3 m -131.46 129.57 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -100.23 125.79 46.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -78.43 128.19 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.69 21.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -115.79 -45.95 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' GLN . 11.8 p -131.55 31.71 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' CYS . 77.3 mm-40 34.4 42.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.41 122.53 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 tp -93.35 144.74 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 43.0 m-85 -153.24 140.89 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.0 p -67.82 131.75 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 97.4 m -32.45 -65.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' THR . 12.7 mt -35.85 -67.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 19.0 m -45.61 -59.04 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 8.0 mt -51.04 -34.8 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.93 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -32.27 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 75.8 t80 -62.84 -72.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 m -51.34 -35.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.229 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.59 -65.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.38 -43.19 23.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 38' ' ' TYR . 12.6 mt -58.24 -59.95 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 61.8 mt -52.18 -56.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.2 mptm? -37.72 -43.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.18 -68.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.61 -37.97 3.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.29 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.72 134.67 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -94.34 -29.1 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.63 161.22 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.5 mm -109.22 110.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.6 p -84.47 -177.59 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.93 135.73 85.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 3.15 2.95 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 62.7 t0 -102.8 143.2 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -93.01 -35.27 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.81 33.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.2 t -102.95 100.03 15.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.99 35.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -42.15 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 66.93 47.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.9 120.51 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -84.97 162.19 19.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.97 117.74 31.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.12 -175.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 20.0 tt0 -74.92 -49.72 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 11.8 t30 -36.62 -65.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' ILE . 13.7 mp0 -48.83 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' GLU . 85.2 mt -37.8 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' ILE . 38.1 tt0 -35.51 -44.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.64 -48.75 20.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -58.61 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.45 150.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -174.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.98 58.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -43.24 -32.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 78' ' ' MET . 23.1 mm -91.01 -59.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.3 tpt -34.18 -44.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -46.52 -50.05 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -48.43 -49.46 35.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -59.01 -55.41 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -53.83 -41.45 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -59.34 -38.53 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.26 -57.41 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 86' ' ' PHE . 33.3 mt-30 -58.63 -56.2 25.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 85' ' ' GLN . 15.0 t80 -34.43 -50.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -46.19 -49.15 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 8.8 mtp-105 -75.2 -47.45 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' ARG . 5.2 t -34.63 -44.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.56 136.79 7.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.7 5.01 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 91' ' ' PRO . 40.9 t -29.62 134.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.8 p -64.2 96.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.456 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -146.75 133.44 19.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -112.1 137.65 49.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 -47.82 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -45.31 154.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -126.55 -23.2 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.14 122.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 21.8 t -82.23 118.07 22.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -63.06 -5.64 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 30' ' ' PHE . 26.3 mt -101.62 -64.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' LEU . 27.6 p -95.96 19.48 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.7 tp 32.85 48.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.613 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -115.03 135.99 12.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.31 105.99 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 23.3 m-85 -128.78 152.64 79.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.683 0.754 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.43 53.91 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 m -51.1 -20.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.02 -37.65 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -104.97 34.91 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.4 mmm -135.28 153.36 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -131.92 129.52 40.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -103.97 125.27 50.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -80.88 136.76 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 28.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.055 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -115.45 -43.87 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -131.32 16.59 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 50.67 43.94 27.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.2 m -105.92 139.35 40.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 tt -113.5 143.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 66.2 m-85 -153.16 154.61 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 p -78.7 132.62 37.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 86.8 m -32.46 -65.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -33.96 -58.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 3.6 m -57.59 -67.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 4.1 mt -47.77 -23.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -76.36 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -57.36 -38.35 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 92.2 t80 -55.21 -67.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -60.97 -36.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.94 -65.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -49.18 -48.8 44.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 mt -51.83 -43.14 63.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.93 -40.56 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -61.63 -35.72 78.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.14 -58.61 7.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.68 30.94 9.86 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -110.26 -75.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -87.18 100.8 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -55.53 -61.95 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.78 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -104.17 112.32 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 p -88.43 -178.06 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.39 135.62 96.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.568 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.5 Cg_endo -69.81 0.98 4.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.61 116.39 32.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.29 -11.67 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.63 24.63 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.75 108.51 40.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -100.37 -30.09 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 53.49 48.89 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.83 125.65 30.86 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -80.21 167.98 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 64' ' ' LEU . 4.4 mm? -104.57 121.79 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -69.84 151.7 45.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 38.5 tt0 -51.1 -52.51 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 p30 -36.71 -48.62 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.41 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 70' ' ' GLU . 52.7 mt -48.15 -45.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ILE . 7.9 tm-20 -35.17 -66.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.21 -42.51 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.0 tpp -38.39 -48.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.68 173.56 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.99 178.2 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.85 -41.11 10.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.8 mm -80.8 -63.44 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.1 tpt -34.38 -46.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -46.3 -50.82 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -51.43 -51.92 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.35 -56.4 11.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.15 -44.48 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -56.07 -44.8 79.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.65 -40.51 75.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -64.68 -53.17 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' GLU . 32.5 t80 -42.26 -53.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' PHE . 46.2 mt-10 -35.27 -50.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' SER . 26.9 mtt-85 -95.97 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -35.05 143.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.02 -100.28 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -21.19 33.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.42 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -100.29 136.86 39.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -67.09 148.75 51.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.506 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -38.63 138.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -75.97 -55.49 5.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.85 117.1 0.51 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -71.62 108.71 5.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m -65.94 -23.4 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.01 105.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -67.08 168.17 10.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -106.1 -41.15 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.36 -67.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -79.94 -24.38 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.74 50.13 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.93 141.84 17.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.86 113.15 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -141.05 152.63 65.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.81 68.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.56 -21.06 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.44 40.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.0 mmm -138.33 158.99 43.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -133.27 127.94 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -107.55 137.61 45.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 5.8 mt -85.66 148.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.58 8.26 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.432 ' OE1' ' NZ ' ' A' ' 60' ' ' LYS . 9.5 mm-40 -99.01 -63.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -104.88 -5.26 21.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 0.1 OUTLIER 66.02 49.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.23 129.55 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.2 tt -96.68 141.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 62.2 m-85 -152.79 146.15 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.9 p -71.54 125.95 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 31' ' ' CYS . 22.3 m -32.0 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -44.34 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.2 -67.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 10.0 mt -39.25 -41.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.38 -54.87 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.03 -28.57 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -69.22 -59.1 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 43' ' ' ILE . 14.5 m -64.44 -24.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 39' ' ' VAL . 8.3 mt-10 -76.63 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.76 -39.61 52.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.83 -57.21 7.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 39' ' ' VAL . 36.6 mt -55.99 -56.65 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -40.25 -41.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -52.99 -59.83 4.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.18 -49.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -78.47 145.78 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -108.72 -42.34 4.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.88 153.34 22.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mm -115.48 86.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.8 m -62.11 179.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.73 135.47 83.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -73.5 153.19 40.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.37 -24.05 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.58 49.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -103.63 101.91 27.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.1 32.24 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.739 2.292 . . . . 0.0 112.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 25' ' ' GLN . 5.5 tmtt? -92.21 -37.24 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 59.99 53.41 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.9 134.67 13.32 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -87.81 169.82 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.57 125.97 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.75 158.11 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.93 -58.32 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -38.67 -46.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.84 -61.08 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLU . 53.2 mt -53.84 -53.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' ILE . 34.9 tt0 -37.28 -64.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.19 -46.67 76.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.5 ttm -41.08 -51.72 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.58 179.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -100.31 152.89 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -36.48 -55.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -42.08 -50.48 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.4 mm -73.84 -58.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.2 tpt -35.34 -57.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 25.6 tt0 -36.72 -53.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.75 -47.18 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -54.96 -52.48 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -59.03 -47.27 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -47.61 -47.05 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.37 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.99 -49.45 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -48.98 -47.92 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.2 -46.88 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -110.9 79.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -130.42 165.0 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.7 -164.68 12.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.89 49.06 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.638 2.226 . . . . 0.0 112.314 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.3 m -111.04 120.67 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -81.21 43.85 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -147.1 160.24 42.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -127.14 138.77 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.27 42.62 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -138.22 107.3 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -89.2 -25.01 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.76 104.92 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 t -62.43 165.8 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -108.63 -20.06 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 15.2 mt -88.4 -59.23 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 13' ' ' GLY . 24.6 p -103.32 15.19 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.6 tp 34.31 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -91.56 142.74 16.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 112.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 18.0 m-85 -133.78 151.82 77.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.74 0.781 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.84 121.42 8.09 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.595 2.197 . . . . 0.0 112.366 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -35.09 -31.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' PRO . 54.0 mm-40 -51.58 -54.92 22.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.39 -39.52 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.7 mmm -54.08 166.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 99.8 m -133.19 105.46 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -80.54 121.39 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 mt -77.9 135.41 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.02 25.29 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -118.25 -47.06 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 20.4 p -128.88 27.38 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 36.54 49.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 60.8 m -111.93 122.85 48.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 15.7 tt -93.52 141.29 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 55.9 m-85 -152.99 138.77 17.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -66.44 132.2 47.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 97.7 m -35.47 -65.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 3.9 mm? -32.27 -67.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 51.4 m -48.35 -66.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.5 mt -40.19 -43.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.05 -63.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.02 -38.55 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 61.9 t80 -58.26 -71.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' O ' ' CD1' ' A' ' 43' ' ' ILE . 10.5 m -51.69 -24.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.94 -57.34 4.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.97 -37.13 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.5 mt -69.28 -54.91 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 39' ' ' VAL . 22.9 mt -50.67 -54.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -44.81 -41.47 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.36 -58.8 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.441 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 86.81 37.02 8.78 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.2 tp -104.33 -63.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -95.43 93.01 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 p -41.13 -35.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.33 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.0 mm -87.88 97.81 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -65.57 175.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.51 135.79 94.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.2 Cg_endo -69.73 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -95.45 161.75 13.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.61 -21.27 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.42 43.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.81 102.12 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -94.05 -35.88 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 60.24 48.77 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.49 136.33 18.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.65 168.01 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.5 mm? -101.33 123.22 45.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.58 143.12 46.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -44.9 -38.97 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -40.92 -34.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -84.38 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' GLU . 3.7 mp -37.41 -45.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' ILE . 12.8 tm-20 -37.14 -67.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 85.6 m -76.25 -42.27 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 ttm -40.39 -52.63 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.26 150.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.68 -176.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.09 -57.3 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 79' ' ' GLN . 2.6 pt-20 -47.17 -21.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.4 mm -92.46 -48.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 tpt -54.16 -37.74 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -45.76 -46.98 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -58.99 -53.6 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.626 ' CD2' ' NE2' ' A' ' 85' ' ' GLN . 30.3 t80 -51.56 -60.65 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -41.94 -39.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -70.83 -45.7 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 11.9 mt -52.83 -54.8 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.626 ' NE2' ' CD2' ' A' ' 81' ' ' TYR . 13.6 mt-30 -55.24 -45.65 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -53.76 -51.3 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -45.64 -47.08 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -97.88 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -100.21 105.62 17.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 91' ' ' PRO . . . -176.09 -62.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 90' ' ' GLY . 54.6 Cg_endo -69.65 112.6 3.1 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.77 2.313 . . . . 0.0 112.358 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.0 p -55.59 119.32 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.0 t -67.05 108.02 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.441 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -109.96 133.44 53.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -58.47 -57.02 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.1 112.05 0.85 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -126.89 163.37 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.831 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 m -120.04 -16.55 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.58 156.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.72 166.6 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -104.65 -32.02 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.5 mt -78.52 -70.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -78.27 -23.24 47.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt 59.87 50.74 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.7 -175.44 21.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' C ' ' CG ' ' A' ' 15' ' ' TYR . 4.9 tt0 -109.52 128.3 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CG ' ' C ' ' A' ' 14' ' ' GLU . 8.0 m-85 -156.9 151.12 19.86 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.71 61.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.9 -14.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.18 -47.0 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.59 -39.48 64.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.429 ' HB3' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mmm -56.98 164.83 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -130.81 122.58 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -91.83 122.12 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.8 mt -77.79 135.75 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.09 21.73 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -117.85 -43.5 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' GLN . 19.5 p -131.17 25.0 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 37.28 51.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 m -109.31 147.97 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 20' ' ' MET . 13.1 tt -118.18 139.14 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.6 m-85 -151.87 144.16 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -65.36 128.49 36.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' LEU . 99.0 m -32.83 -60.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 33.1 mt -34.02 -67.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' LEU . 94.4 m -50.78 -72.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 mt -37.47 -35.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.56 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -56.34 -33.32 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.64 -71.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 HG22 ' CG1' ' A' ' 73' ' ' VAL . 5.8 m -56.36 -39.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.18 -58.78 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' N ' HD21 ' A' ' 41' ' ' LEU . 4.3 mm? -53.12 -38.35 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.79 -68.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.7 mt -51.96 -20.14 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -89.52 -28.45 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.85 -59.89 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.0 -32.5 7.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.95 -68.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -81.04 105.14 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.9 m -73.11 -38.83 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.13 141.03 36.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.4 mm -101.3 82.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -64.63 179.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.404 ' SG ' ' HD2' ' A' ' 54' ' ' PRO . 48.1 t -72.6 136.78 80.58 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' SG ' ' A' ' 53' ' ' CYS . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.389 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -108.93 115.59 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.95 -9.17 57.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.34 28.54 7.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 t -91.95 107.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -14.17 35.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -92.55 -29.54 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 56.15 45.67 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.58 140.42 17.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -94.86 179.7 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.2 152.87 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -88.07 165.98 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.22 -63.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -45.65 -42.23 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.45 -40.67 92.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -73.21 -54.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 10.5 tt0 -34.14 -61.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.07 -38.75 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.1 ttm -55.34 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.418 ' CG1' HG22 ' A' ' 39' ' ' VAL . 11.3 m -86.95 173.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.39 175.86 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.34 91.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.75 -43.42 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' MET . 40.9 mm -81.15 -57.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.5 tpt -36.06 -45.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -52.04 -50.91 60.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -54.53 -25.33 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -80.27 -44.13 20.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -54.55 -54.46 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.91 -35.93 81.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.11 -39.31 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -66.04 -28.46 68.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -76.19 -18.75 58.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.91 -48.91 56.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -80.97 12.28 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -104.87 -52.59 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.81 168.94 24.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.92 69.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -149.51 175.88 11.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 t -52.09 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.483 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -57.89 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -47.87 -51.15 24.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.75 -84.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -38.71 149.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -99.67 -16.99 17.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.56 133.13 2.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.42 166.78 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -103.99 -36.97 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 20.8 mt -78.19 -73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -72.55 -15.83 61.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 mt 53.0 45.0 29.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.86 -161.17 25.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -137.22 107.96 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.68 152.26 78.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.711 0.767 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' VAL . 53.3 Cg_endo -69.86 122.31 8.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' PRO . 34.6 m -35.66 -40.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -47.65 -50.08 25.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -74.33 -40.91 61.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.427 ' CE ' HG12 ' A' ' 29' ' ' ILE . 33.6 mmm -55.97 168.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -128.76 115.44 17.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.5 m -87.02 125.7 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mt -77.36 127.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.71 23.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -117.51 -46.94 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.1 p -130.72 32.53 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 mm-40 34.57 47.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.7 m -110.77 130.19 55.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG12 ' CE ' ' A' ' 20' ' ' MET . 13.4 tt -102.49 143.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.5 m-85 -153.06 133.5 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.6 p -59.41 126.06 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 63.0 m -32.44 -50.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' LYS . 40.1 m -62.69 -69.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 1.2 tt -35.73 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpt -72.6 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.52 -46.76 80.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 34.6 t80 -45.48 -67.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.003 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 40' ' ' GLU . 22.9 m -52.77 -31.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' HG23 ' A' ' 39' ' ' VAL . 6.4 mt-10 -66.53 -63.08 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.11 -40.81 11.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -62.69 -59.79 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.84 -47.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -47.13 -39.08 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.15 -71.18 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' CA ' HD21 ' A' ' 84' ' ' LEU . . . 87.28 46.1 5.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.55 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.84 -29.15 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -88.96 -27.59 20.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m 54.23 29.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.73 142.64 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG2' HG13 ' A' ' 39' ' ' VAL . 17.0 mm -99.24 88.69 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -76.87 -174.61 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.03 135.08 82.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 1.9 4.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.375 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -99.57 137.86 37.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.56 -25.75 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.27 35.8 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.7 t -92.06 115.1 64.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.75 29.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -85.6 -38.18 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 59.09 50.2 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.15 -169.76 42.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -141.36 178.18 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.64 137.55 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -70.43 138.71 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -44.29 -53.1 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.54 -51.09 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.09 -58.68 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 12.8 mt -52.86 -57.06 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 4.0 tm-20 -34.76 -58.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.41 -45.41 69.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.4 ttm -47.44 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -94.83 139.72 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 167.58 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.05 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -38.37 -41.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.6 mm -79.66 -62.4 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.3 tpt -33.91 -43.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -48.44 -50.19 32.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ILE . 52.0 mtt-85 -49.95 -52.32 34.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -59.71 -56.16 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -49.41 -38.32 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -40.19 81.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD21 ' CA ' ' A' ' 46' ' ' GLY . 52.8 mt -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.89 -45.86 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.59 -46.23 77.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -44.59 -55.4 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -103.91 80.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -172.96 150.78 2.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.04 -92.69 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -36.06 11.24 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.646 2.23 . . . . 0.0 112.309 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -51.41 157.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -56.61 144.78 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.465 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.816 ' OG ' HG21 ' A' ' 29' ' ' ILE . 4.6 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.91 165.01 2.1 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -128.53 143.2 50.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -104.05 6.86 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.28 -59.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -99.07 4.48 47.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? 49.57 40.83 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.66 151.18 16.99 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.02 136.88 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -152.6 149.64 22.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.68 68.9 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.19 -16.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.67 -42.39 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -103.7 40.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.2 mmm -135.26 163.56 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -138.24 116.08 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -89.02 114.47 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 28' ' ' CYS . 24.2 mt -69.34 124.11 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.63 24.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.606 ' H ' HG22 ' A' ' 23' ' ' ILE . 3.5 mp0 -116.44 -43.1 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.6 p -134.38 33.16 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' CYS . 20.6 mm-40 36.16 44.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.659 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -108.22 120.13 41.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.816 HG21 ' OG ' ' A' ' 6' ' ' SER . 20.3 tt -101.52 143.37 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 52.7 m-85 -152.62 152.94 32.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -71.14 125.9 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 39.8 m -32.34 -58.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 36.7 mt -35.96 -69.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -48.92 -68.64 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -38.7 -40.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -63.58 -52.26 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.879 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 -64.6 -29.05 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -69.04 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG12 HG21 ' A' ' 51' ' ' ILE . 14.3 m -57.92 -35.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.17 -60.76 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -45.63 -41.36 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.83 -61.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 44' ' ' LYS . 39.3 mt -51.81 -55.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ILE . 22.8 mtpt -36.42 -44.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.838 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -52.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA2' HD21 ' A' ' 84' ' ' LEU . . . 96.49 39.29 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.838 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -122.08 -32.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -138.6 134.81 34.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 50' ' ' ALA . 9.8 t -90.02 -42.94 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 49' ' ' THR . . . -54.88 120.11 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 HG12 ' A' ' 39' ' ' VAL . 25.6 mm -95.81 83.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -59.1 176.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.62 135.92 85.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.84 3.72 2.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.17 119.57 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.44 -23.75 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.0 43.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -98.21 113.24 63.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.55 37.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.26 -20.34 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 45.53 52.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.48 170.32 42.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.428 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 9.5 t60 -121.78 164.26 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.6 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.3 mm? -99.72 109.29 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -56.56 168.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -66.08 -51.02 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -43.18 -46.51 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 -56.61 20.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLU . 21.1 mt -55.13 -54.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' ILE . 43.5 tt0 -34.65 -54.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.3 m -74.28 -46.76 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.9 tpp -43.93 -54.24 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -102.08 171.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 159.29 15.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.65 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.35 -47.83 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.6 mm -72.11 -58.31 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.9 tpt -34.18 -53.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -39.45 -50.29 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -51.68 -46.04 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.0 t80 -70.9 -38.53 73.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.22 -46.14 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -69.14 -30.83 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.546 HD21 ' HA2' ' A' ' 46' ' ' GLY . 35.7 mt -65.66 -35.79 81.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.97 -54.71 43.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.64 148.28 19.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -106.07 165.74 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -106.26 -30.89 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.5 mt -82.84 -73.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.84 -13.11 60.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt 49.2 48.7 20.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.54 153.05 16.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -91.81 104.85 17.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.3 152.19 77.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.752 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 142.69 48.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.387 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 m -48.09 -20.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.08 -36.66 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -104.19 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.443 ' HB2' HD11 ' A' ' 29' ' ' ILE . 53.3 mmm -138.65 162.93 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -129.38 110.35 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -87.21 119.45 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 25' ' ' GLN . 35.2 mt -77.38 132.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.93 21.56 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.658 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.7 mm100 -111.44 -45.61 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.8 p -130.84 22.36 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 44.22 45.51 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.8 m -109.7 121.31 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 20' ' ' MET . 14.7 tt -96.11 146.3 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.0 m-85 -153.21 144.3 22.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -65.95 129.32 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' CYS . 28.3 m -32.7 -62.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.3 mt -34.43 -68.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.65 ' HB3' HD12 ' A' ' 10' ' ' LEU . 71.7 m -58.37 -70.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -37.38 -27.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' CYS . 24.6 ttpt -82.78 -59.98 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -55.41 -26.58 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.748 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 74.9 t80 -65.34 -70.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 72' ' ' MET . 3.7 m -54.26 -33.52 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -65.13 -62.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 37' ' ' GLN . 3.1 mp -51.43 -41.84 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mt -58.01 -40.07 79.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 80' ' ' ARG . 83.8 mt -73.3 -38.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.94 -39.6 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.01 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 112.04 -67.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . 16.5 tp -36.55 -69.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.87 145.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 p -123.52 -23.17 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.12 161.17 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.519 HG12 ' CE1' ' A' ' 81' ' ' TYR . 48.0 mm -111.99 81.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -68.6 -178.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.7 t -74.36 135.74 75.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 52.0 t0 -102.3 141.93 34.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -91.89 -33.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.78 41.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.6 t -91.95 107.87 25.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.376 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -107.02 -18.33 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 39.93 53.53 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' ND1' ' A' ' 63' ' ' HIS . . . -81.49 -168.05 39.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.416 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.44 ' ND1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -147.62 178.54 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.26 117.92 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.33 141.33 57.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' CE ' ' A' ' 78' ' ' MET . 4.9 tm-20 -46.9 -24.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -60.01 -42.69 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.28 -65.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 70' ' ' GLU . 16.8 mt -42.81 -44.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 69' ' ' ILE . 44.3 tt0 -36.46 -65.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 m -76.8 -38.69 53.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 39' ' ' VAL . 15.2 ttm -42.64 -49.28 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 m -113.94 166.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 76' ' ' GLU . . . -80.1 -178.18 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.7 -57.27 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.436 ' OE1' ' HB1' ' A' ' 74' ' ' ALA . 2.2 pm0 -43.55 -26.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.39 -53.2 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 69' ' ' ILE . 12.0 tpt -45.07 -44.47 10.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -47.7 -53.21 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 90.7 mtt-85 -46.35 -58.32 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 51' ' ' ILE . 34.6 t80 -50.93 -55.28 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -55.56 -36.84 67.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -39.23 93.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.29 -54.7 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.66 -51.37 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 70.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.53 120.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.568 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.56 166.39 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -111.13 -21.19 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 34' ' ' CYS . 76.8 mt -86.22 -56.85 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.86 -0.47 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp 44.9 43.72 7.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -107.76 141.09 15.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.65 113.1 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 9.2 m-85 -131.93 150.72 76.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.678 0.752 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 136.38 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' GLU . 35.6 m -39.46 -41.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 6.6 tp10 -45.36 -44.27 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -97.32 39.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.0 mmm -134.29 154.77 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 73.5 m -129.21 128.85 44.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.141 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -107.22 121.54 44.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 28' ' ' CYS . 17.0 mt -72.13 136.66 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.54 26.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' H ' HG22 ' A' ' 23' ' ' ILE . 11.3 mt-30 -120.37 -45.97 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.5 26.78 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 37.69 47.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.8 m -110.01 121.95 46.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 tt -100.68 140.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 87.4 m-85 -147.06 160.81 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.0 p -79.61 129.78 34.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 98.7 m -32.84 -63.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 39.6 mt -33.05 -67.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.557 ' HB3' HD12 ' A' ' 10' ' ' LEU . 73.6 m -50.68 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.0 mt -43.5 -27.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -75.16 -62.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.593 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -59.18 -25.56 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -69.8 -65.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.636 HG12 HG21 ' A' ' 51' ' ' ILE . 6.4 m -61.73 -21.38 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.8 -57.25 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.5 mm? -53.83 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 51' ' ' ILE . 19.1 mt -60.92 -56.32 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.431 HG13 HD11 ' A' ' 51' ' ' ILE . 81.1 mt -53.01 -56.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -45.94 -39.48 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.08 -73.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 120.88 -53.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.7 tt -38.62 -50.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.93 110.12 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.5 p -86.71 -49.12 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.62 113.19 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 HG12 ' A' ' 39' ' ' VAL . 56.4 mt -84.39 93.84 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -73.72 178.87 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.69 136.17 96.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.403 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -113.49 100.42 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.55 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.64 26.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.6 t -89.88 108.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -4.85 14.81 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -103.46 -26.21 12.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 49.01 54.25 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.71 145.77 25.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.543 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 53.3 t60 -101.28 165.44 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 mm? -100.49 112.0 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.1 165.54 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.42 -63.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -43.72 -38.72 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -75.08 -49.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ILE . 19.0 tt0 -38.04 -67.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.86 -36.11 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.1 tpp -58.77 -70.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.99 173.61 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.97 167.62 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.38 -42.19 73.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pm0 -59.36 -23.06 62.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.5 mm -95.58 -59.73 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.5 tpt -34.97 -45.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -46.28 -50.41 16.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -54.55 -37.67 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -77.07 -25.76 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -66.01 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 10.3 pttp -72.46 -36.16 68.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.478 HD11 ' HA2' ' A' ' 46' ' ' GLY . 12.3 mt -58.43 -32.95 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -74.55 -43.66 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.21 149.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.0 t -110.92 164.25 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.396 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -101.54 -37.73 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -73.31 -72.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.95 -24.06 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt 57.93 47.99 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.96 -148.55 14.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -146.75 114.62 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.43 153.57 68.64 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.731 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.74 54.96 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 m -47.46 -19.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.63 -39.44 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -97.75 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.8 mmm -139.44 162.79 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 51.7 m -133.69 126.65 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -98.65 138.06 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 25' ' ' GLN . 22.7 mt -95.22 126.69 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 25.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -116.31 -44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.8 p -133.28 29.75 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 37.06 47.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -109.38 131.92 54.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 tt -109.85 143.64 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.3 m-85 -152.51 146.99 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -66.98 124.57 23.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 31.8 m -32.41 -48.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 22.8 mt -41.99 -68.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 92.7 m -51.32 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.42 HD22 ' HE3' ' A' ' 72' ' ' MET . 8.5 mt -38.22 -44.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 32.1 ttmt -57.52 -56.86 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.7 mp0 -63.24 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 85.9 t80 -66.86 -65.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 HG21 ' A' ' 51' ' ' ILE . 5.2 m -58.88 -25.5 29.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.95 -60.8 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -49.82 -43.69 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.66 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.86 -43.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -55.15 -40.37 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.84 -69.03 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.51 -34.06 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.98 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -92.03 124.53 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 t -90.82 -32.38 16.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.57 134.64 37.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 HG12 ' A' ' 39' ' ' VAL . 34.1 mm -96.86 81.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -61.49 176.63 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.22 134.84 95.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.7 Cg_endo -69.76 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -121.18 106.49 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.12 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.36 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.4 t -43.99 117.61 2.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -19.33 35.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -95.09 -36.27 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 55.3 47.25 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.53 172.37 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 64.3 t60 -108.99 164.71 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.0 mm? -96.49 115.58 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -54.66 147.88 13.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -52.97 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.94 -45.74 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -55.45 -57.27 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 30.2 mt -58.04 -47.53 86.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.21 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 26.8 tt0 -34.61 -58.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 94.1 m -80.25 -46.41 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.42 ' HE3' HD22 ' A' ' 35' ' ' LEU . 17.5 tpp -39.14 -48.7 1.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.67 162.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.71 175.85 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.29 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.09 -38.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 29.2 mm -82.5 -61.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.1 tpt -35.06 -50.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -41.92 -51.09 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -55.04 -49.38 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -53.6 -51.58 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -53.33 -41.44 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -58.08 -45.44 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.5 -53.03 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -43.5 -49.99 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 151.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -106.48 167.41 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -109.4 -24.46 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -87.12 -54.07 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.2 -7.06 30.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 42.56 54.2 4.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -113.56 156.68 15.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -86.28 110.86 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.418 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 20.6 m-85 -142.01 150.43 56.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.45 37.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -45.56 -24.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.47 -44.06 96.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.68 37.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.3 mmm -137.34 156.21 48.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 96.4 m -130.69 129.17 42.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -99.92 129.35 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 28' ' ' CYS . 36.0 mt -78.39 132.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.45 25.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.655 ' H ' HG22 ' A' ' 23' ' ' ILE . 12.3 mm100 -118.7 -51.65 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.2 p -122.45 18.75 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 47.2 46.21 16.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' ILE . 58.6 m -108.69 120.28 42.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.72 141.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 72.1 m-85 -151.07 140.67 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -66.36 130.32 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' CYS . 95.7 m -32.67 -58.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 69.6 mt -36.12 -68.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.4 m -49.93 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.4 mt -38.57 -40.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 42.1 tttm -60.25 -62.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -56.65 -44.51 81.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 60.3 t80 -52.52 -72.18 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 51' ' ' ILE . 13.1 m -50.7 -44.54 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 39' ' ' VAL . 4.9 mt-10 -51.79 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.2 mp -48.61 -61.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -41.86 -36.88 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.62 -37.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' CE ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.36 -30.65 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -70.26 -62.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.76 -33.65 6.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.37 -68.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -87.09 109.02 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -74.68 -35.35 62.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.01 145.15 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.68 HG21 HG12 ' A' ' 39' ' ' VAL . 12.0 mm -105.1 79.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.2 p -61.37 -177.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 t -73.99 136.08 76.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.65 3.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -107.05 111.86 24.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.62 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.06 21.3 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.1 t -85.89 111.42 37.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -19.46 36.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -37.3 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.6 52.95 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 179.55 41.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.638 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 11.6 t60 -134.51 164.11 28.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.638 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mm? -100.38 113.68 26.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.84 -52.51 65.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -44.27 -43.46 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.23 -53.1 60.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 17.3 mt -61.55 -53.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -35.03 -49.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.9 m -77.92 -46.06 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 ttm -48.81 -61.05 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.12 157.67 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.93 -175.86 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -56.56 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -44.77 -24.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.8 mm -94.99 -59.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ILE . 15.7 tpt -34.05 -46.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -47.28 -51.41 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HD3' ' CE ' ' A' ' 44' ' ' LYS . 20.2 mtp85 -54.64 -27.81 42.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 9.3 t80 -87.81 -32.99 18.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -67.65 -58.15 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -41.55 -44.86 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.79 -38.34 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.29 -48.86 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.881 0.372 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.44 162.69 1.31 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.7 t -124.98 164.19 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.15 -32.23 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.84 -75.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.23 -14.98 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mt 47.55 47.82 17.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.34 -161.97 25.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.18 115.88 18.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -144.87 150.67 47.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.712 0.768 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.81 26.45 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.09 -33.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -48.83 -45.58 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.28 45.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.652 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.0 mmm -142.23 158.26 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -132.12 148.08 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -118.37 138.26 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG22 ' H ' ' A' ' 25' ' ' GLN . 4.8 mt -96.36 121.49 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.11 -14.75 61.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' H ' HG22 ' A' ' 23' ' ' ILE . 6.1 mm-40 -66.4 -54.47 23.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 p -127.39 26.95 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 41.27 42.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.7 m -102.45 129.81 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -100.86 130.5 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 43.1 m-85 -139.74 139.9 36.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -64.83 130.88 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' LEU . 84.9 m -33.72 -62.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.7 mp -33.55 -63.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.6 -61.37 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 39' ' ' VAL . 7.2 mt -46.17 -32.04 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 34.2 tttm -70.99 -68.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.25 -46.84 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 56.7 t80 -50.93 -71.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 51' ' ' ILE . 10.7 m -55.09 -33.31 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.72 -59.98 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.24 -49.76 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -48.05 -52.98 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.19 -44.74 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -57.25 -23.21 46.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.52 -70.27 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 118.48 -61.79 0.45 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLY . 17.7 tp -36.66 -53.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -73.51 133.36 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -99.99 -32.17 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.35 164.1 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.524 HG21 HG12 ' A' ' 39' ' ' VAL . 19.6 mm -113.08 86.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.8 t -65.44 170.27 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 t -56.17 134.31 75.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.727 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.73 3.01 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.03 118.11 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 6.26 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.24 23.41 11.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.02 120.37 61.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.85 36.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLN . 28.9 tttm -110.26 -13.01 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' LYS . 21.1 mt-30 35.95 52.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.97 128.2 19.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.2 m80 -75.81 -176.58 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 64' ' ' LEU . 3.3 mm? -101.85 138.61 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.37 144.47 56.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -56.44 -41.32 76.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -46.34 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.01 -57.22 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLU . 17.3 mt -52.43 -51.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ILE . 35.0 tp10 -35.54 -64.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.76 -37.02 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.9 tpp -47.75 -61.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.43 171.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.01 149.25 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -38.24 -48.35 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -46.61 -42.55 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' MET . 35.8 mm -85.03 -54.12 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ILE . 8.8 tpt -36.74 -50.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -44.16 -48.93 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.4 mtp180 -48.43 -48.08 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.21 -42.22 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -54.82 -49.94 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -61.81 -41.49 97.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 18.7 mt -53.96 -50.98 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -54.54 -51.78 64.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.97 157.78 14.75 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.86 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.6 t -112.0 166.46 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -99.05 -25.08 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 34' ' ' CYS . 30.3 mt -93.02 -74.77 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' LEU . 28.0 p -77.8 4.69 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 8' ' ' CYS . 4.5 mm? 33.1 45.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.502 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -101.86 144.76 16.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -85.45 101.61 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 8.0 m-85 -123.39 150.81 61.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.747 . . . . 0.0 110.954 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.69 -39.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -46.36 -43.09 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.5 40.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.3 mmm -136.85 157.12 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -127.58 125.12 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.4 m -101.55 133.01 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.31 131.56 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.68 25.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -115.26 -42.28 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.2 p -132.94 17.94 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 48.1 41.45 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -104.8 134.63 47.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.49 145.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 68.3 m-85 -152.31 156.15 39.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -77.19 126.13 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 19.8 m -32.37 -56.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -36.99 -62.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' HB3' HD12 ' A' ' 10' ' ' LEU . 99.5 m -57.68 -71.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.0 mt -37.61 -34.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -67.99 -52.34 36.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' HD23 ' A' ' 41' ' ' LEU . 36.9 mt-30 -69.38 -26.56 64.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 83.8 t80 -67.78 -62.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.703 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.7 m -63.49 -25.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.89 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -54.94 -40.52 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 25.6 mt -62.39 -53.86 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 39' ' ' VAL . 33.4 mt -59.13 -50.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -51.68 -36.93 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.64 -50.06 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.55 -45.3 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.5 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 42' ' ' LEU . 6.3 mp0 -56.21 116.29 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -95.18 -26.65 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.81 133.88 54.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.571 HG21 HG12 ' A' ' 39' ' ' VAL . 49.2 mm -90.06 83.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t -69.3 -179.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.3 135.36 91.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.85 -5.58 16.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.64 118.5 36.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -48.23 59.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.69 -35.78 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 13.5 t -41.27 106.59 0.44 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.2 Cg_endo -69.7 -12.89 33.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -92.73 -39.34 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.54 54.96 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 141.55 22.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -84.52 170.91 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.57 141.0 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -73.03 136.65 45.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.8 -40.47 13.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.43 -58.22 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.562 HD13 ' CE2' ' A' ' 81' ' ' TYR . 16.7 mt -52.18 -37.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.73 -59.4 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -66.09 -38.79 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 tpp -51.56 -65.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 69' ' ' ILE . 15.0 m -91.39 170.18 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 153.0 18.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.52 -50.42 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -44.73 -41.2 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -88.16 -58.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.7 tpt -35.39 -41.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -49.51 -48.71 47.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.6 mtp-105 -53.36 -55.95 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 69' ' ' ILE . 27.6 t80 -51.15 -55.84 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -54.3 -44.1 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -60.77 -51.41 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.3 mt -47.78 -47.44 30.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.86 -51.69 66.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.02 152.65 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.04 164.38 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -102.82 -14.44 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 3.88 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.4 mm? 39.32 45.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 15' ' ' TYR . . . -102.32 136.61 12.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.13 102.86 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 10.7 m-85 -125.88 150.74 69.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 142.52 48.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -48.25 -21.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -66.9 -36.66 82.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -99.16 36.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.5 mmm -135.5 160.17 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 m -129.56 124.14 33.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 m -95.62 138.92 32.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 28' ' ' CYS . 7.8 mt -96.9 128.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.55 22.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -112.63 -47.31 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.02 22.06 4.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 42.67 47.97 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.6 m -110.36 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 14.4 tt -99.62 142.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 42.5 m-85 -152.72 147.76 26.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.3 p -67.94 126.21 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 40.2 m -32.05 -52.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 58.6 mt -39.25 -68.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.7 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 mt -39.56 -37.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.5 ttmt -65.05 -69.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -51.11 -38.42 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.71 -72.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG12 HG21 ' A' ' 51' ' ' ILE . 6.6 m -54.12 -34.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -52.88 -52.6 56.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.05 -42.18 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mp -58.7 -52.13 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 77' ' ' ILE . 85.1 mt -59.34 -45.4 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -59.81 -37.34 78.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.96 -66.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.507 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 114.64 -50.57 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 tp -48.79 -50.49 33.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.02 77.82 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -55.51 -34.49 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.82 170.78 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.588 HG21 HG12 ' A' ' 39' ' ' VAL . 13.0 mm -120.91 86.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -65.05 174.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.22 136.57 91.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.695 0.759 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.81 4.87 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.609 2.206 . . . . 0.0 112.41 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -104.53 155.5 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -34.56 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 59' ' ' PRO . . . -98.18 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.81 105.19 17.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 53.7 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -106.07 -28.45 10.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 47.83 53.33 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.94 156.5 20.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -104.76 176.19 5.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.86 150.5 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.0 168.21 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.43 -45.56 53.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -58.58 -39.53 80.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.86 -57.33 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.71 -46.24 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -38.11 -62.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.9 t -74.94 -37.4 62.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -45.77 -59.12 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -102.66 170.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.54 172.38 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.79 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.29 -51.33 14.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 78' ' ' MET . 43.6 mm -71.54 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.8 tpt -36.45 -50.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -46.93 -47.77 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.4 mtp-105 -59.47 -48.2 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.72 -30.27 71.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 3.0 pttm -72.37 -29.2 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 46' ' ' GLY . 14.5 mt -66.75 -47.84 71.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.02 -45.57 73.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 29' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.3 132.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 t -87.51 165.91 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -102.49 -37.35 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' A' ' 34' ' ' CYS . 92.7 mt -72.12 -75.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.45 -24.7 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt 61.38 43.51 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.41 144.14 15.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.9 114.27 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -135.53 152.52 76.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.728 0.775 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HG2' ' OE1' ' A' ' 19' ' ' GLN . 54.0 Cg_endo -69.76 140.85 43.69 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.36 -25.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -57.47 -48.53 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 12.6 mp0 -92.21 36.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -136.36 158.29 44.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.659 ' C ' HD12 ' A' ' 29' ' ' ILE . 54.3 m -132.03 128.68 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -97.59 135.47 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 25' ' ' GLN . 8.8 mt -93.79 144.93 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.32 6.1 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.9 mm-40 -96.35 -44.95 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 p -131.55 25.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 38.33 44.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -100.23 168.64 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 6' ' ' SER . 3.9 tp -140.31 146.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' N ' HG13 ' A' ' 29' ' ' ILE . 65.5 m-85 -153.38 156.21 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -77.42 124.94 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 62.3 m -32.19 -54.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' THR . 34.0 mt -36.9 -65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.72 ' HB3' HD12 ' A' ' 10' ' ' LEU . 84.0 m -56.77 -70.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.9 mt -36.29 -35.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.1 tttm -63.49 -67.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -58.81 -29.78 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.38 -72.29 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.713 HG12 HG21 ' A' ' 51' ' ' ILE . 6.3 m -56.53 -24.78 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -72.02 -54.92 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.54 -38.26 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.62 -54.13 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 39' ' ' VAL . 54.5 mt -58.25 -42.94 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -57.07 -27.87 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.888 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -69.71 -69.95 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.98 -31.61 6.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.888 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -52.81 -28.16 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -113.81 142.4 46.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -107.91 -26.75 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.73 124.25 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.713 HG21 HG12 ' A' ' 39' ' ' VAL . 26.1 mm -77.73 101.46 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -77.45 170.27 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.1 130.05 94.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.02 6.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 43.4 t0 -90.23 146.78 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -98.44 -34.66 10.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.85 30.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.7 t -92.52 106.95 20.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.02 37.1 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -92.82 -30.01 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 49.94 52.22 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.26 -177.68 51.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.8 -177.66 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -106.25 139.27 41.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 20.6 mm-40 -85.13 -178.88 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -75.81 -43.85 44.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 12.0 p30 -39.37 -44.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ILE . 43.5 mp0 -72.58 -71.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.547 HG22 ' SD ' ' A' ' 78' ' ' MET . 78.2 mt -35.12 -44.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -40.85 -66.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.03 -40.33 62.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.466 ' SD ' HG21 ' A' ' 39' ' ' VAL . 38.5 ttm -42.01 -50.6 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 m -113.46 169.77 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.99 159.17 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.0 -54.79 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -43.7 -46.19 7.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.44 HD13 ' HE ' ' A' ' 80' ' ' ARG . 31.7 mm -75.81 -56.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 69' ' ' ILE . 10.0 tpt -39.01 -49.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.56 -46.39 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HE ' HD13 ' A' ' 77' ' ' ILE . 56.8 mtt-85 -53.74 -51.98 61.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -54.13 -58.32 7.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -53.38 -35.3 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -66.08 -35.71 81.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.97 -54.1 46.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 86' ' ' PHE . 49.3 mm-40 -57.85 -61.61 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 4.7 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.918 0.389 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.4 156.25 30.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 12' ' ' LEU . 12.0 t -119.69 167.05 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -103.48 -39.62 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 34' ' ' CYS . 16.3 mt -74.7 -73.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -76.12 -19.72 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 8' ' ' CYS . 6.7 mt 55.01 46.97 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.0 169.66 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.3 121.11 39.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.39 151.54 47.68 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 132.65 23.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.1 m -44.33 -36.71 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.91 -54.54 23.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.58 -37.96 83.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.9 mmm -58.5 165.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 11.8 m -132.11 118.06 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -90.75 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.8 mt -91.72 130.73 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 27.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.604 ' H ' HG22 ' A' ' 23' ' ' ILE . 25.3 mm-40 -119.75 -48.98 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 p -128.78 26.7 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 39.97 47.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -110.0 128.71 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tt -100.47 144.24 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 76.6 m-85 -153.09 134.29 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -59.43 131.29 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 33.5 m -32.61 -63.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' THR . 29.7 mt -35.19 -69.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' HD12 ' A' ' 10' ' ' LEU . 93.6 m -51.98 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.689 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -34.53 -36.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpp -71.07 -56.37 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 mp0 -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 49.3 t80 -65.47 -62.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 HG21 ' A' ' 51' ' ' ILE . 14.1 m -60.61 -32.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.46 -60.74 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 2.6 mp -49.01 -48.05 43.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 51' ' ' ILE . 12.7 mt -53.21 -41.05 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.69 -46.28 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD2' ' NH1' ' A' ' 80' ' ' ARG . 1.3 mmmm -49.84 -45.55 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.18 -68.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 117.89 -55.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.5 tp -38.12 -59.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -83.29 111.48 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.7 m -84.9 -53.79 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.59 145.17 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.624 HG21 HG12 ' A' ' 39' ' ' VAL . 47.4 mt -116.61 85.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.1 t -70.82 -175.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.69 135.47 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.83 0.26 5.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.602 2.202 . . . . 0.0 112.393 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -109.23 112.14 24.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.23 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 25.48 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 t -98.89 114.7 65.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.02 15.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.393 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -100.56 -45.69 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 65.65 46.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.88 128.77 8.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.7 m80 -85.29 176.52 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.44 141.06 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.28 171.63 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' CE ' ' A' ' 78' ' ' MET . 8.7 tp10 -71.03 -52.9 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -49.24 -45.63 44.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.18 -54.62 43.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.12 -51.96 66.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -39.64 -58.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.57 -44.08 83.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.689 ' SD ' HD22 ' A' ' 35' ' ' LEU . 16.3 ttm -45.5 -57.86 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.61 170.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.97 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.68 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.04 -39.12 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.9 mm -81.85 -61.39 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.466 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 14.6 tpt -34.86 -55.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -38.51 -48.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.449 ' NH1' ' HD2' ' A' ' 44' ' ' LYS . 86.2 mtt180 -55.58 -45.13 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.47 -55.69 25.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -46.35 -51.57 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -56.59 -52.07 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 46' ' ' GLY . 21.5 mt -48.65 -50.15 34.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -46.39 -57.79 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.484 ' HB3' HG21 ' A' ' 29' ' ' ILE . 4.3 m . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 118.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 t -86.9 140.92 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -101.36 10.13 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 54' ' ' PRO . 83.7 mt -108.47 -45.78 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -114.14 -15.35 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt 64.94 51.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -124.69 123.18 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.6 119.89 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 20.2 m-85 -138.91 152.37 70.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.683 0.754 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.53 42.87 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -46.82 -20.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.41 -41.25 85.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.44 38.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.0 mmm -136.94 155.8 49.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 21.5 m -126.67 131.46 51.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.0 m -98.74 133.25 43.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.769 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.3 mt -86.28 128.99 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -87.12 23.46 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.769 ' H ' HG22 ' A' ' 23' ' ' ILE . 18.7 mt-30 -115.9 -45.26 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.8 p -134.03 32.86 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 36.7 43.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.8 m -105.01 125.43 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 6' ' ' SER . 8.7 tt -99.7 143.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 74.7 m-85 -153.26 150.08 28.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.4 p -69.34 127.33 32.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.2 m -32.58 -62.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' THR . 45.1 mt -35.57 -68.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 m -46.81 -66.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.63 HD13 ' HE1' ' A' ' 72' ' ' MET . 7.4 mt -41.06 -45.02 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -54.64 -60.69 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.47 -46.35 86.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.515 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 86.4 t80 -49.48 -60.18 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 HG21 ' A' ' 51' ' ' ILE . 8.2 m -67.03 -36.54 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.41 -65.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.57 -42.13 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 51' ' ' ILE . 19.0 mt -56.27 -46.84 79.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 81' ' ' TYR . 77.8 mt -70.0 -42.51 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.41 -36.61 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -58.3 -58.87 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.07 -41.02 2.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.85 -59.46 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.76 120.71 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -87.88 -30.87 19.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' O ' HD13 ' A' ' 51' ' ' ILE . . . -108.74 167.15 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 50' ' ' ALA . 28.0 mm -119.4 93.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -71.24 -178.97 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -72.2 134.78 82.59 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.687 0.756 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.1 Cg_endo -69.85 -4.0 13.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.604 2.203 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.84 105.69 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.77 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.92 38.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 t -89.85 121.79 68.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.25 32.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -109.74 -24.39 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 49.74 50.64 17.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.02 -171.98 45.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -131.91 -177.45 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.325 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.37 107.2 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.575 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.5 OUTLIER -64.52 139.73 58.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.36 -33.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.08 -42.12 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.11 -65.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLU . 22.4 mt -44.11 -48.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ILE . 22.0 tt0 -35.19 -66.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' MET . 17.0 t -72.04 -46.31 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.63 ' HE1' HD13 ' A' ' 35' ' ' LEU . 10.1 tpp -36.77 -50.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -108.75 166.14 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.19 170.31 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.32 -58.51 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -39.12 -44.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.4 mm -78.7 -63.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.3 tpt -34.05 -48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -39.3 -49.43 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.19 -58.6 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.614 ' HB2' HD13 ' A' ' 43' ' ' ILE . 30.9 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -56.65 -38.04 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -60.96 -41.32 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 ' HA2' ' A' ' 46' ' ' GLY . 70.0 mt -60.65 -57.56 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' PHE . 8.5 mm100 -59.87 -55.29 35.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLN . 47.8 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.87 0.367 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 151.94 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -116.22 168.25 10.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -104.28 -45.1 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.8 mt -67.31 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.49 -22.8 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 57.16 39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.8 174.6 20.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -97.86 125.07 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -147.64 152.07 40.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.26 27.45 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 18' ' ' GLU . 1.3 p -47.78 -39.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 7.1 pt-20 -51.93 -36.46 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -83.84 -38.28 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.7 mmm -62.32 153.64 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 38.2 m -126.08 130.16 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -102.14 121.56 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 25' ' ' GLN . 21.2 mt -74.58 130.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.7 23.86 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.3 mm100 -114.83 -47.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.4 p -128.94 26.34 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 39.2 49.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -111.78 121.36 44.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 tt -91.44 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 67.5 m-85 -153.27 144.38 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' THR . 18.6 p -71.38 129.17 38.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' CYS . 88.4 m -32.29 -46.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.35 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 10' ' ' LEU . 86.4 m -49.5 -60.92 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.9 mt -46.83 -39.12 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -63.88 -65.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -56.06 -28.23 56.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -67.72 -72.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.451 HG12 HG21 ' A' ' 51' ' ' ILE . 12.3 m -51.92 -17.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.175 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -83.77 -45.99 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.52 -32.41 74.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.79 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.1 -54.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.44 -46.02 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.43 -57.66 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 84' ' ' LEU . . . 98.28 -41.03 2.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.5 tt -46.24 -61.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.79 80.82 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 t -51.47 -38.91 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.76 142.5 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 39' ' ' VAL . 37.2 mm -107.04 88.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 10.4 t -70.74 -178.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.0 t -78.38 136.6 60.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.86 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -102.7 116.15 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.31 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 41.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 34.1 t -87.61 109.27 25.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.707 0.765 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.0 Cg_endo -69.75 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -104.8 -25.86 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 52.14 47.72 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.03 173.49 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 11.2 m80 -132.65 177.79 7.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.47 139.99 33.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.33 175.57 9.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.94 -63.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -40.75 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.08 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 15.3 mt -71.74 -53.24 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 42.2 tt0 -34.16 -62.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.86 -41.67 97.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpp -45.22 -52.08 9.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.3 m -108.45 178.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.03 -178.69 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.52 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.26 -45.03 65.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.0 mm -77.49 -58.23 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.2 tpt -34.29 -56.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 36.8 tt0 -35.93 -49.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -50.44 -53.82 26.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.76 -57.37 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.17 -44.02 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -54.04 -49.02 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' HA2' ' A' ' 46' ' ' GLY . 83.0 mt -57.65 -44.06 85.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.62 -45.06 85.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.843 0.354 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.62 138.13 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -97.16 166.53 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -104.64 -15.47 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 54' ' ' PRO . 6.3 mt -100.61 -61.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.2 p -91.54 4.5 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.579 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.9 mm? 36.07 47.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -105.78 151.04 17.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -94.53 95.93 9.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CE1' ' HA3' ' A' ' 13' ' ' GLY . 8.9 m-85 -115.04 150.15 43.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.656 0.741 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.73 40.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -46.56 -25.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.06 -41.27 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -106.51 44.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.716 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.4 mmm -136.89 155.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.6 m -132.75 141.91 48.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -115.38 132.8 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.1 mt -87.51 126.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.22 0.32 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.017 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.618 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.3 mm-40 -85.79 -60.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.61 25.76 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 41.86 36.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -98.58 132.75 43.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -107.82 137.09 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 29' ' ' ILE . 89.5 m-85 -145.15 151.24 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -72.75 127.64 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.7 m -32.41 -49.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -41.39 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -53.82 -55.43 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.424 HD22 ' HE1' ' A' ' 72' ' ' MET . 4.7 mt -49.41 -31.6 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -74.33 -68.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.93 -30.12 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -62.7 -71.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.827 HG12 HG21 ' A' ' 51' ' ' ILE . 4.5 m -58.91 -24.82 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.89 -61.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.93 -47.19 71.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.38 -56.67 13.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.38 -43.42 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -55.34 -42.58 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.45 -64.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.451 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 111.1 -40.74 2.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.52 -60.07 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.89 86.47 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -69.26 -45.82 68.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.17 23.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.827 HG21 HG12 ' A' ' 39' ' ' VAL . 64.9 mt -92.73 88.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -71.88 -176.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.2 t -61.68 135.21 94.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' O ' HD21 ' A' ' 10' ' ' LEU . 53.4 Cg_endo -69.8 2.11 3.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.5 130.72 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.24 -3.99 58.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.29 18.07 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.47 115.05 62.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -24.18 29.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -44.84 14.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 67.45 46.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.85 146.42 50.29 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 33.7 t60 -99.19 165.07 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.2 mm? -100.92 106.87 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -50.66 166.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.4 tt0 -61.42 -62.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' GLU . 19.9 t-20 -34.99 -49.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.67 -54.4 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 51' ' ' ILE . 22.3 mt -63.08 -47.02 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -37.96 -56.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.62 -33.45 58.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 35' ' ' LEU . 31.4 ttm -54.85 -65.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 m -92.5 158.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 157.66 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.01 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.54 -45.85 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -77.66 -55.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' GLN . 10.1 tpt -37.13 -55.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' MET . 24.7 tt0 -34.81 -51.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -52.15 -48.42 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' MET . 90.7 t80 -65.4 -40.08 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.25 -47.95 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 31.5 pttt -69.42 -33.08 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD11 ' HA2' ' A' ' 46' ' ' GLY . 13.7 mt -62.69 -36.46 83.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.82 -43.49 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.44 ' OG ' HG12 ' A' ' 17' ' ' VAL . 18.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.885 0.374 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 125.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.9 166.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -105.48 -36.12 7.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.24 -65.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.47 -20.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt 53.77 48.63 20.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.4 142.94 17.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.67 116.68 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.96 151.73 56.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 135.58 30.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' OG ' ' A' ' 6' ' ' SER . 27.1 m -43.17 -24.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.16 -42.19 90.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -96.65 41.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' ILE . 50.1 mmm -139.59 160.87 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.1 m -130.84 132.21 45.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 m -106.39 132.91 51.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' ' 28' ' ' CYS . 21.6 mt -83.09 142.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.68 31.14 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -126.7 -43.53 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' GLN . 13.5 p -131.45 28.69 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 45.4 mm-40 35.56 47.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -108.09 127.39 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 20' ' ' MET . 6.3 tt -101.71 145.26 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 83.7 m-85 -153.36 148.99 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' THR . 19.8 p -70.72 130.27 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' CYS . 25.9 m -35.61 -49.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 85.0 mt -45.03 -69.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.8 m -49.44 -58.11 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.8 mt -49.12 -37.23 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 43.3 tttt -65.44 -68.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.504 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.5 mp0 -50.73 -42.18 57.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 66.4 t80 -55.74 -72.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.987 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG12 HG21 ' A' ' 51' ' ' ILE . 13.9 m -50.46 -40.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 39' ' ' VAL . 12.3 mt-10 -51.28 -58.98 4.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -52.09 -47.13 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.86 HD22 HG23 ' A' ' 51' ' ' ILE . 7.1 mp -54.17 -54.75 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.83 -48.11 62.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -54.42 -46.43 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.31 -58.02 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.87 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.36 -59.32 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.99 84.47 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -62.42 -36.03 81.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.95 125.82 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 42' ' ' LEU . 55.9 mt -97.77 114.7 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -94.86 174.36 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -60.14 134.89 90.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 0.7 5.35 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.32 110.37 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.24 70.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.72 32.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 t -101.16 114.74 65.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.5 Cg_endo -69.77 -1.29 8.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.5 tppp? -122.76 -19.08 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 60' ' ' LYS . 1.9 pt20 32.08 45.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 125.55 33.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -68.73 169.46 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.67 146.94 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' CD ' ' A' ' 65' ' ' GLN . 2.2 mp0 -82.66 155.09 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.17 -40.79 86.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -56.45 -42.93 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.05 -59.61 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.675 ' CD1' HD12 ' A' ' 51' ' ' ILE . 68.7 mt -50.24 -40.71 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.68 -46.65 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 48.7 t -76.48 -48.71 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -56.73 3.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.58 151.05 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.64 172.32 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.77 -55.36 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -40.02 -40.49 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' MET . 46.5 mm -84.78 -61.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ILE . 14.2 tpt -33.11 -48.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -47.71 -48.76 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ILE . 69.8 mtt180 -53.28 -25.86 16.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -88.72 -40.07 13.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -60.08 -51.45 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 34.6 pttt -58.33 -41.91 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 15.1 mt -46.86 -50.52 18.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.69 -55.27 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 5.6 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.361 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.2 83.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.55 154.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -96.69 -28.97 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 34' ' ' CYS . 88.3 mt -76.62 -70.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.648 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 p -91.94 -26.4 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD12 ' C ' ' A' ' 11' ' ' CYS . 1.2 mp 56.63 54.55 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -80.92 -9.02 86.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 66.94 53.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 34.5 m-85 -90.9 152.77 44.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.647 0.736 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 143.78 51.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -40.74 -37.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -49.77 -43.67 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.27 47.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.4 mmm -147.13 162.24 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.421 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.3 m -131.46 129.57 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -100.23 125.79 46.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.766 HD12 ' HB2' ' A' ' 28' ' ' CYS . 29.3 mt -78.43 128.19 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.69 21.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.0 mm-40 -115.79 -45.95 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' GLN . 11.8 p -131.55 31.71 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' CYS . 77.3 mm-40 34.4 42.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.766 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.0 m -103.41 122.53 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 tp -93.35 144.74 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 43.0 m-85 -153.24 140.89 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.0 p -67.82 131.75 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 97.4 m -32.45 -65.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' THR . 12.7 mt -35.85 -67.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.678 ' HB3' HD12 ' A' ' 10' ' ' LEU . 19.0 m -45.61 -59.04 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' CE ' ' A' ' 72' ' ' MET . 8.0 mt -51.04 -34.8 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.93 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -32.27 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.84 -72.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 51' ' ' ILE . 12.2 m -51.34 -35.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.229 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.59 -65.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.38 -43.19 23.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 51' ' ' ILE . 12.6 mt -58.24 -59.95 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 61.8 mt -52.18 -56.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.2 mptm? -37.72 -43.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.18 -68.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.61 -37.97 3.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.29 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.72 134.67 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' ' 85' ' ' GLN . 12.2 m -94.34 -29.1 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.63 161.22 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 39' ' ' VAL . 39.5 mm -109.22 110.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.6 p -84.47 -177.59 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.93 135.73 85.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.489 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 3.15 2.95 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 62.7 t0 -102.8 143.2 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -93.01 -35.27 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.81 33.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.2 t -102.95 100.03 15.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.99 35.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -42.15 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 66.93 47.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.9 120.51 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -84.97 162.19 19.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.97 117.74 31.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.12 -175.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 20.0 tt0 -74.92 -49.72 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 11.8 t30 -36.62 -65.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' ILE . 13.7 mp0 -48.83 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.559 HG22 ' SD ' ' A' ' 78' ' ' MET . 85.2 mt -37.8 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' ILE . 38.1 tt0 -35.51 -44.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.64 -48.75 20.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.57 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -45.4 -58.61 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.45 150.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -174.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.98 58.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -43.24 -32.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 78' ' ' MET . 23.1 mm -91.01 -59.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.559 ' SD ' HG22 ' A' ' 69' ' ' ILE . 11.3 tpt -34.18 -44.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -46.52 -50.05 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -48.43 -49.46 35.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -59.01 -55.41 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -53.83 -41.45 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -59.34 -38.53 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.26 -57.41 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.556 ' HG2' HG22 ' A' ' 49' ' ' THR . 70.8 mt-30 -58.63 -56.2 25.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 85' ' ' GLN . 15.0 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.14 122.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 21.8 t -82.23 118.07 22.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -63.06 -5.64 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 34' ' ' CYS . 26.3 mt -101.62 -64.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' LEU . 27.6 p -95.96 19.48 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.7 tp 32.85 48.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.613 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -115.03 135.99 12.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.31 105.99 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 23.3 m-85 -128.78 152.64 79.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.683 0.754 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.43 53.91 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 m -51.1 -20.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.02 -37.65 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -104.97 34.91 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.4 mmm -135.28 153.36 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -131.92 129.52 40.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -103.97 125.27 50.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -80.88 136.76 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 28.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.055 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -115.45 -43.87 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -131.32 16.59 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 50.67 43.94 27.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.2 m -105.92 139.35 40.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 tt -113.5 143.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 66.2 m-85 -153.16 154.61 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 p -78.7 132.62 37.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 86.8 m -32.46 -65.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.515 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.0 mm? -33.96 -58.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB3' HD13 ' A' ' 10' ' ' LEU . 3.6 m -57.59 -67.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 4.1 mt -47.77 -23.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -76.36 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -57.36 -38.35 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 92.2 t80 -55.21 -67.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 51' ' ' ILE . 5.7 m -60.97 -36.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.94 -65.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -49.18 -48.8 44.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 51' ' ' ILE . 37.3 mt -51.83 -43.14 63.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.93 -40.56 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -61.63 -35.72 78.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.14 -58.61 7.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.68 30.94 9.86 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -110.26 -75.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -87.18 100.8 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -55.53 -61.95 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.78 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 69' ' ' ILE . 65.6 mt -104.17 112.32 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 p -88.43 -178.06 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.39 135.62 96.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.5 Cg_endo -69.81 0.98 4.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.61 116.39 32.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.29 -11.67 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.63 24.63 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.75 108.51 40.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -100.37 -30.09 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 53.49 48.89 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.83 125.65 30.86 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -80.21 167.98 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.57 121.79 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -69.84 151.7 45.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 38.5 tt0 -51.1 -52.51 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 p30 -36.71 -48.62 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.41 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 HD12 ' A' ' 51' ' ' ILE . 52.7 mt -48.15 -45.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ILE . 7.9 tm-20 -35.17 -66.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.21 -42.51 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.0 tpp -38.39 -48.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.68 173.56 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.99 178.2 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.85 -41.11 10.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.8 mm -80.8 -63.44 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.1 tpt -34.38 -46.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -46.3 -50.82 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -51.43 -51.92 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.35 -56.4 11.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.15 -44.48 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -56.07 -44.8 79.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.65 -40.51 75.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -64.68 -53.17 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.954 0.407 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.01 105.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -67.08 168.17 10.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -106.1 -41.15 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 34' ' ' CYS . 34.9 mt -70.36 -67.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -79.94 -24.38 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.74 50.13 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.93 141.84 17.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.86 113.15 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -141.05 152.63 65.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.81 68.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.56 -21.06 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.44 40.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.0 mmm -138.33 158.99 43.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -133.27 127.94 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -107.55 137.61 45.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.8 mt -85.66 148.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.58 8.26 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -99.01 -63.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -104.88 -5.26 21.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 0.1 OUTLIER 66.02 49.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.6 m -110.23 129.55 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.2 tt -96.68 141.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 62.2 m-85 -152.79 146.15 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.9 p -71.54 125.95 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 31' ' ' CYS . 22.3 m -32.0 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -44.34 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.622 ' HB3' HD12 ' A' ' 10' ' ' LEU . 88.3 m -51.2 -67.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 10.0 mt -39.25 -41.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.38 -54.87 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.6 mp0 -65.03 -28.57 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -69.22 -59.1 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.633 ' O ' HD12 ' A' ' 43' ' ' ILE . 14.5 m -64.44 -24.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.63 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.9 mm? -50.76 -39.61 52.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' OE1' ' A' ' 48' ' ' GLU . 13.0 mt -66.83 -57.21 7.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 39' ' ' VAL . 36.6 mt -55.99 -56.65 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -40.25 -41.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -52.99 -59.83 4.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.18 -49.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' OE1' HD22 ' A' ' 42' ' ' LEU . 6.4 tt0 -78.47 145.78 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -108.72 -42.34 4.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.88 153.34 22.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 39' ' ' VAL . 25.4 mm -115.48 86.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.8 m -62.11 179.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.73 135.47 83.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -73.5 153.19 40.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.37 -24.05 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.58 49.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -103.63 101.91 27.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.1 32.24 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.739 2.292 . . . . 0.0 112.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 25' ' ' GLN . 5.5 tmtt? -92.21 -37.24 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 59.99 53.41 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.9 134.67 13.32 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -87.81 169.82 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.57 125.97 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.75 158.11 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.93 -58.32 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -38.67 -46.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.84 -61.08 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLU . 53.2 mt -53.84 -53.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' ILE . 34.9 tt0 -37.28 -64.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.19 -46.67 76.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HG11 ' A' ' 39' ' ' VAL . 33.5 ttm -41.08 -51.72 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.58 179.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -100.31 152.89 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -36.48 -55.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -42.08 -50.48 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.4 mm -73.84 -58.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.2 tpt -35.34 -57.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 25.6 tt0 -36.72 -53.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.75 -47.18 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -54.96 -52.48 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -59.03 -47.27 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -47.61 -47.05 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.498 HD11 ' HA2' ' A' ' 46' ' ' GLY . 96.0 mt -59.37 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.99 -49.45 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.76 104.92 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 t -62.43 165.8 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -108.63 -20.06 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.2 mt -88.4 -59.23 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 13' ' ' GLY . 24.6 p -103.32 15.19 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.6 tp 34.31 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -91.56 142.74 16.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 112.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 18.0 m-85 -133.78 151.82 77.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.74 0.781 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.84 121.42 8.09 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.595 2.197 . . . . 0.0 112.366 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -35.09 -31.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' PRO . 54.0 mm-40 -51.58 -54.92 22.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.39 -39.52 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.7 mmm -54.08 166.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 99.8 m -133.19 105.46 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -80.54 121.39 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 ' HB2' ' A' ' 28' ' ' CYS . 11.2 mt -77.9 135.41 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.02 25.29 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.594 ' H ' HG22 ' A' ' 23' ' ' ILE . 42.4 mm-40 -118.25 -47.06 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 20.4 p -128.88 27.38 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.5 mp0 36.54 49.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.641 ' HB2' HD12 ' A' ' 23' ' ' ILE . 60.8 m -111.93 122.85 48.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 15.7 tt -93.52 141.29 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 55.9 m-85 -152.99 138.77 17.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -66.44 132.2 47.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 97.7 m -35.47 -65.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' A' ' 33' ' ' LEU . 3.9 mm? -32.27 -67.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.713 ' HB3' HD12 ' A' ' 10' ' ' LEU . 51.4 m -48.35 -66.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.5 mt -40.19 -43.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.05 -63.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.02 -38.55 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -58.26 -71.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 HG21 ' A' ' 51' ' ' ILE . 10.5 m -51.69 -24.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.94 -57.34 4.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.97 -37.13 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.28 -54.91 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 39' ' ' VAL . 22.9 mt -50.67 -54.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -44.81 -41.47 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.36 -58.8 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.455 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 86.81 37.02 8.78 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.2 tp -104.33 -63.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -95.43 93.01 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 p -41.13 -35.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.33 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.863 HG21 HG12 ' A' ' 39' ' ' VAL . 14.0 mm -87.88 97.81 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -65.57 175.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.51 135.79 94.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.2 Cg_endo -69.73 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -95.45 161.75 13.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.61 -21.27 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.42 43.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.81 102.12 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -94.05 -35.88 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 60.24 48.77 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.49 136.33 18.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.65 168.01 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.33 123.22 45.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' ILE . 71.6 mt-30 -73.58 143.12 46.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -44.9 -38.97 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -40.92 -34.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -84.38 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.7 mp -37.41 -45.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' ILE . 12.8 tm-20 -37.14 -67.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 85.6 m -76.25 -42.27 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 ttm -40.39 -52.63 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 69' ' ' ILE . 14.9 m -104.26 150.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.68 -176.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLN . . . -74.09 -57.3 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 79' ' ' GLN . 2.6 pt-20 -47.17 -21.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.4 mm -92.46 -48.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 tpt -54.16 -37.74 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -45.76 -46.98 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -58.99 -53.6 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CD2' ' OE1' ' A' ' 85' ' ' GLN . 30.3 t80 -51.56 -60.65 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -41.94 -39.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -70.83 -45.7 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 11.9 mt -52.83 -54.8 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.476 ' OE1' ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt-30 -55.24 -45.65 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.4 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.58 156.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.72 166.6 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -104.65 -32.02 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 34' ' ' CYS . 23.5 mt -78.52 -70.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -78.27 -23.24 47.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt 59.87 50.74 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.7 -175.44 21.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' C ' ' CG ' ' A' ' 15' ' ' TYR . 4.9 tt0 -109.52 128.3 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CG ' ' C ' ' A' ' 14' ' ' GLU . 8.0 m-85 -156.9 151.12 19.86 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.71 61.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.9 -14.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.18 -47.0 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.59 -39.48 64.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.444 ' HB3' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mmm -56.98 164.83 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -130.81 122.58 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -91.83 122.12 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 28' ' ' CYS . 43.8 mt -77.79 135.75 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.09 21.73 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' ILE . 7.5 mm-40 -117.85 -43.5 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 28' ' ' CYS . 19.5 p -131.17 25.0 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.5 mp0 37.28 51.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.71 ' HB2' HD12 ' A' ' 23' ' ' ILE . 54.4 m -109.31 147.97 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 20' ' ' MET . 13.1 tt -118.18 139.14 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.6 m-85 -151.87 144.16 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -65.36 128.49 36.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' LEU . 99.0 m -32.83 -60.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 33.1 mt -34.02 -67.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' HD12 ' A' ' 10' ' ' LEU . 94.4 m -50.78 -72.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 mt -37.47 -35.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.56 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.632 ' O ' HD23 ' A' ' 41' ' ' LEU . 27.7 mt-30 -56.34 -33.32 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.64 -71.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.478 HG12 HG21 ' A' ' 51' ' ' ILE . 5.8 m -56.36 -39.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 39' ' ' VAL . 17.8 mt-10 -52.18 -58.78 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.3 mm? -53.12 -38.35 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.538 HD12 HG23 ' A' ' 51' ' ' ILE . 80.7 mt -63.79 -68.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 69' ' ' ILE . 84.7 mt -51.96 -20.14 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -89.52 -28.45 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.85 -59.89 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.0 -32.5 7.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.95 -68.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -81.04 105.14 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 84' ' ' LEU . 77.9 m -73.11 -38.83 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.13 141.03 36.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 42' ' ' LEU . 20.4 mm -101.3 82.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -64.63 179.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.6 136.78 80.58 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.389 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -108.93 115.59 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.95 -9.17 57.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.34 28.54 7.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 18.1 t -91.95 107.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.7 Cg_endo -69.76 -14.17 35.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -92.55 -29.54 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 56.15 45.67 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.58 140.42 17.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -94.86 179.7 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.2 152.87 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -88.07 165.98 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.22 -63.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -45.65 -42.23 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.45 -40.67 92.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 43' ' ' ILE . 18.8 mt -73.21 -54.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 10.5 tt0 -34.14 -61.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.07 -38.75 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.1 ttm -55.34 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.3 m -86.95 173.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.39 175.86 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.34 91.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.75 -43.42 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' MET . 40.9 mm -81.15 -57.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.5 tpt -36.06 -45.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -52.04 -50.91 60.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -54.53 -25.33 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -80.27 -44.13 20.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -54.55 -54.46 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.91 -35.93 81.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.5 mt -60.11 -39.31 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -66.04 -28.46 68.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.842 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.56 133.13 2.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.42 166.78 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -103.99 -36.97 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 20.8 mt -78.19 -73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -72.55 -15.83 61.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 mt 53.0 45.0 29.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.86 -161.17 25.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -137.22 107.96 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.68 152.26 78.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.711 0.767 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' VAL . 53.3 Cg_endo -69.86 122.31 8.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 34.6 m -35.66 -40.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.6 tp10 -47.65 -50.08 25.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -74.33 -40.91 61.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 33.6 mmm -55.97 168.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -128.76 115.44 17.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.5 m -87.02 125.7 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 25' ' ' GLN . 51.7 mt -77.36 127.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.71 23.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 23' ' ' ILE . 15.6 mm-40 -117.51 -46.94 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.1 p -130.72 32.53 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 26' ' ' CYS . 14.1 mm100 34.57 47.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -110.77 130.19 55.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' MET . 13.4 tt -102.49 143.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.5 m-85 -153.06 133.5 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.6 p -59.41 126.06 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 63.0 m -32.44 -50.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 40.1 m -62.69 -69.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.2 tt -35.73 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 39' ' ' VAL . 18.5 ttpt -72.6 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.52 -46.76 80.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 34.6 t80 -45.48 -67.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.003 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' A' ' 51' ' ' ILE . 22.9 m -52.77 -31.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.53 -63.08 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.11 -40.81 11.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.69 -59.79 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.405 HG13 HD11 ' A' ' 51' ' ' ILE . 56.9 mt -44.84 -47.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -47.13 -39.08 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.622 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.5 tp10 -62.15 -71.18 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.28 46.1 5.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.55 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.622 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -127.84 -29.15 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -88.96 -27.59 20.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m 54.23 29.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.73 142.64 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.728 ' CG2' HG12 ' A' ' 39' ' ' VAL . 17.0 mm -99.24 88.69 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -76.87 -174.61 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.03 135.08 82.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 1.9 4.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.375 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -99.57 137.86 37.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.56 -25.75 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.27 35.8 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.7 t -92.06 115.1 64.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.75 29.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -85.6 -38.18 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 59.09 50.2 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.15 -169.76 42.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -141.36 178.18 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.64 137.55 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -70.43 138.71 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -44.29 -53.1 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.54 -51.09 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.09 -58.68 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 12.8 mt -52.86 -57.06 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 4.0 tm-20 -34.76 -58.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.41 -45.41 69.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.44 ' SD ' HD22 ' A' ' 35' ' ' LEU . 23.4 ttm -47.44 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -94.83 139.72 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 167.58 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.05 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -38.37 -41.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.6 mm -79.66 -62.4 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.3 tpt -33.91 -43.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -48.44 -50.19 32.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ILE . 52.0 mtt-85 -49.95 -52.32 34.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -59.71 -56.16 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -49.41 -38.32 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -40.19 81.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.89 -45.86 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -78.84 130.4 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -161.34 167.44 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 123.49 -60.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -81.23 132.67 35.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.816 ' OG ' HG21 ' A' ' 29' ' ' ILE . 4.6 t -105.16 -14.16 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.91 165.01 2.1 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -128.53 143.2 50.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -104.05 6.86 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.28 -59.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -99.07 4.48 47.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? 49.57 40.83 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.66 151.18 16.99 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.02 136.88 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -152.6 149.64 22.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.68 68.9 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 4' ' ' GLY . 27.3 m -53.19 -16.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.67 -42.39 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -103.7 40.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.2 mmm -135.26 163.56 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -138.24 116.08 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -89.02 114.47 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 28' ' ' CYS . 24.2 mt -69.34 124.11 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.63 24.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.606 ' H ' HG22 ' A' ' 23' ' ' ILE . 3.5 mp0 -116.44 -43.1 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.6 p -134.38 33.16 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' CYS . 20.6 mm-40 36.16 44.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.659 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -108.22 120.13 41.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.816 HG21 ' OG ' ' A' ' 6' ' ' SER . 20.3 tt -101.52 143.37 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 52.7 m-85 -152.62 152.94 32.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -71.14 125.9 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 39.8 m -32.34 -58.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 36.7 mt -35.96 -69.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -48.92 -68.64 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -38.7 -40.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -63.58 -52.26 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.879 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 -64.6 -29.05 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -69.04 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG12 HG21 ' A' ' 51' ' ' ILE . 14.3 m -57.92 -35.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.17 -60.76 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -45.63 -41.36 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.83 -61.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 44' ' ' LYS . 39.3 mt -51.81 -55.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ILE . 22.8 mtpt -36.42 -44.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.838 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -52.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA2' HD21 ' A' ' 84' ' ' LEU . . . 96.49 39.29 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.838 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -122.08 -32.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -138.6 134.81 34.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 50' ' ' ALA . 9.8 t -90.02 -42.94 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 49' ' ' THR . . . -54.88 120.11 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 HG12 ' A' ' 39' ' ' VAL . 25.6 mm -95.81 83.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -59.1 176.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.62 135.92 85.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.84 3.72 2.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.17 119.57 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.44 -23.75 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.0 43.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -98.21 113.24 63.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.55 37.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.26 -20.34 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 45.53 52.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.48 170.32 42.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.428 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 9.5 t60 -121.78 164.26 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.6 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.3 mm? -99.72 109.29 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -56.56 168.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -66.08 -51.02 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -43.18 -46.51 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 -56.61 20.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLU . 21.1 mt -55.13 -54.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' ILE . 43.5 tt0 -34.65 -54.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.3 m -74.28 -46.76 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.9 tpp -43.93 -54.24 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -102.08 171.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 159.29 15.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.65 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.35 -47.83 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.6 mm -72.11 -58.31 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.9 tpt -34.18 -53.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -39.45 -50.29 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -51.68 -46.04 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.0 t80 -70.9 -38.53 73.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.22 -46.14 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -69.14 -30.83 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.546 HD21 ' HA2' ' A' ' 46' ' ' GLY . 35.7 mt -65.66 -35.79 81.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.97 -54.71 43.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.67 -52.83 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -39.18 -42.93 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -108.18 81.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.1 p -141.72 130.7 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.56 69.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -4.8 14.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -125.61 -46.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 m -86.03 127.18 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m 49.09 49.24 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -52.14 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.45 -65.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -84.74 110.04 18.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -66.45 -175.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.64 148.28 19.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -106.07 165.74 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -106.26 -30.89 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.5 mt -82.84 -73.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.84 -13.11 60.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt 49.2 48.7 20.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.54 153.05 16.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -91.81 104.85 17.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.3 152.19 77.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.752 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 142.69 48.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.387 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 m -48.09 -20.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.08 -36.66 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -104.19 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.443 ' HB2' HD11 ' A' ' 29' ' ' ILE . 53.3 mmm -138.65 162.93 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -129.38 110.35 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -87.21 119.45 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 25' ' ' GLN . 35.2 mt -77.38 132.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.93 21.56 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.658 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.7 mm100 -111.44 -45.61 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.8 p -130.84 22.36 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 44.22 45.51 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.8 m -109.7 121.31 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 20' ' ' MET . 14.7 tt -96.11 146.3 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.0 m-85 -153.21 144.3 22.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -65.95 129.32 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' CYS . 28.3 m -32.7 -62.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.3 mt -34.43 -68.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.65 ' HB3' HD12 ' A' ' 10' ' ' LEU . 71.7 m -58.37 -70.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -37.38 -27.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' CYS . 24.6 ttpt -82.78 -59.98 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -55.41 -26.58 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.748 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 74.9 t80 -65.34 -70.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 72' ' ' MET . 3.7 m -54.26 -33.52 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -65.13 -62.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 37' ' ' GLN . 3.1 mp -51.43 -41.84 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mt -58.01 -40.07 79.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 80' ' ' ARG . 83.8 mt -73.3 -38.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.94 -39.6 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.01 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 112.04 -67.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . 16.5 tp -36.55 -69.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.87 145.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 p -123.52 -23.17 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.12 161.17 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.519 HG12 ' CE1' ' A' ' 81' ' ' TYR . 48.0 mm -111.99 81.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -68.6 -178.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.7 t -74.36 135.74 75.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 52.0 t0 -102.3 141.93 34.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -91.89 -33.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.78 41.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.6 t -91.95 107.87 25.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.376 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -107.02 -18.33 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 39.93 53.53 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' ND1' ' A' ' 63' ' ' HIS . . . -81.49 -168.05 39.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.416 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' ND1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -147.62 178.54 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.26 117.92 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.33 141.33 57.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' CE ' ' A' ' 78' ' ' MET . 4.9 tm-20 -46.9 -24.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -60.01 -42.69 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.28 -65.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 70' ' ' GLU . 16.8 mt -42.81 -44.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 69' ' ' ILE . 44.3 tt0 -36.46 -65.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 m -76.8 -38.69 53.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 39' ' ' VAL . 15.2 ttm -42.64 -49.28 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 m -113.94 166.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 76' ' ' GLU . . . -80.1 -178.18 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.7 -57.27 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' OE1' ' HB1' ' A' ' 74' ' ' ALA . 2.2 pm0 -43.55 -26.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.39 -53.2 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 69' ' ' ILE . 12.0 tpt -45.07 -44.47 10.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -47.7 -53.21 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 90.7 mtt-85 -46.35 -58.32 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 51' ' ' ILE . 34.6 t80 -50.93 -55.28 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -55.56 -36.84 67.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -39.23 93.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.29 -54.7 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.66 -51.37 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 70.5 t80 -41.99 -54.42 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 34.8 mt-10 -37.63 -51.84 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -99.14 78.82 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -174.9 108.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -44.54 142.37 3.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 146.79 61.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -130.94 137.23 49.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -119.45 176.38 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.766 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.25 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.451 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -54.4 122.52 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -48.89 -61.12 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.37 101.04 2.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -165.32 117.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -80.82 -21.65 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.53 120.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.568 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.56 166.39 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -111.13 -21.19 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 34' ' ' CYS . 76.8 mt -86.22 -56.85 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.86 -0.47 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp 44.9 43.72 7.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -107.76 141.09 15.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.65 113.1 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 9.2 m-85 -131.93 150.72 76.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.678 0.752 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 136.38 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' GLU . 35.6 m -39.46 -41.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 6.6 tp10 -45.36 -44.27 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -97.32 39.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.0 mmm -134.29 154.77 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 73.5 m -129.21 128.85 44.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.141 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -107.22 121.54 44.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 28' ' ' CYS . 17.0 mt -72.13 136.66 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.54 26.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' H ' HG22 ' A' ' 23' ' ' ILE . 11.3 mt-30 -120.37 -45.97 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.5 26.78 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 37.69 47.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.8 m -110.01 121.95 46.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 tt -100.68 140.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 87.4 m-85 -147.06 160.81 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.0 p -79.61 129.78 34.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 98.7 m -32.84 -63.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 39.6 mt -33.05 -67.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.557 ' HB3' HD12 ' A' ' 10' ' ' LEU . 73.6 m -50.68 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.0 mt -43.5 -27.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -75.16 -62.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.593 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -59.18 -25.56 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -69.8 -65.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.636 HG12 HG21 ' A' ' 51' ' ' ILE . 6.4 m -61.73 -21.38 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.8 -57.25 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.5 mm? -53.83 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 51' ' ' ILE . 19.1 mt -60.92 -56.32 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.431 HG13 HD11 ' A' ' 51' ' ' ILE . 81.1 mt -53.01 -56.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -45.94 -39.48 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.08 -73.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 120.88 -53.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.7 tt -38.62 -50.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.93 110.12 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.5 p -86.71 -49.12 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.62 113.19 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 HG12 ' A' ' 39' ' ' VAL . 56.4 mt -84.39 93.84 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -73.72 178.87 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.69 136.17 96.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.403 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -113.49 100.42 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.55 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.64 26.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.6 t -89.88 108.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -4.85 14.81 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -103.46 -26.21 12.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 49.01 54.25 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.71 145.77 25.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.543 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 53.3 t60 -101.28 165.44 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.4 mm? -100.49 112.0 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.1 165.54 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.42 -63.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -43.72 -38.72 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -75.08 -49.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ILE . 19.0 tt0 -38.04 -67.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.86 -36.11 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.1 tpp -58.77 -70.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.99 173.61 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.97 167.62 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.38 -42.19 73.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pm0 -59.36 -23.06 62.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.5 mm -95.58 -59.73 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.5 tpt -34.97 -45.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -46.28 -50.41 16.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -54.55 -37.67 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -77.07 -25.76 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -66.01 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 10.3 pttp -72.46 -36.16 68.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD11 ' HA2' ' A' ' 46' ' ' GLY . 12.3 mt -58.43 -32.95 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -74.55 -43.66 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' GLU . 42.2 t80 -57.37 -44.74 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' PHE . 25.9 mt-10 -36.76 -56.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -110.1 82.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -170.18 157.14 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.89 101.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -42.04 3.76 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -50.06 -46.26 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.8 m -96.97 93.99 6.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.501 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -60.59 -57.68 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 40.15 41.63 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.28 -126.0 1.73 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.448 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -89.27 143.13 27.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.815 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -102.53 -22.57 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.21 149.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.0 t -110.92 164.25 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.396 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -101.54 -37.73 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -73.31 -72.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.95 -24.06 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt 57.93 47.99 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.96 -148.55 14.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -146.75 114.62 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.43 153.57 68.64 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.731 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.74 54.96 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 m -47.46 -19.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.63 -39.44 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -97.75 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.8 mmm -139.44 162.79 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 51.7 m -133.69 126.65 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -98.65 138.06 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 25' ' ' GLN . 22.7 mt -95.22 126.69 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 25.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -116.31 -44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.8 p -133.28 29.75 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 37.06 47.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -109.38 131.92 54.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 tt -109.85 143.64 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.3 m-85 -152.51 146.99 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -66.98 124.57 23.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 31.8 m -32.41 -48.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 22.8 mt -41.99 -68.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 92.7 m -51.32 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.42 HD22 ' HE3' ' A' ' 72' ' ' MET . 8.5 mt -38.22 -44.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 32.1 ttmt -57.52 -56.86 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.7 mp0 -63.24 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 85.9 t80 -66.86 -65.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 HG21 ' A' ' 51' ' ' ILE . 5.2 m -58.88 -25.5 29.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.95 -60.8 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -49.82 -43.69 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.66 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.86 -43.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -55.15 -40.37 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.84 -69.03 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.51 -34.06 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.98 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -92.03 124.53 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 t -90.82 -32.38 16.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.57 134.64 37.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 HG12 ' A' ' 39' ' ' VAL . 34.1 mm -96.86 81.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -61.49 176.63 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.22 134.84 95.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.7 Cg_endo -69.76 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -121.18 106.49 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.12 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.36 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.4 t -43.99 117.61 2.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -19.33 35.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -95.09 -36.27 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 55.3 47.25 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.53 172.37 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 64.3 t60 -108.99 164.71 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.0 mm? -96.49 115.58 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -54.66 147.88 13.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -52.97 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.94 -45.74 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -55.45 -57.27 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 30.2 mt -58.04 -47.53 86.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.21 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 26.8 tt0 -34.61 -58.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 94.1 m -80.25 -46.41 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.42 ' HE3' HD22 ' A' ' 35' ' ' LEU . 17.5 tpp -39.14 -48.7 1.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.67 162.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.71 175.85 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.29 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.09 -38.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 29.2 mm -82.5 -61.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.1 tpt -35.06 -50.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -41.92 -51.09 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -55.04 -49.38 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -53.6 -51.58 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -53.33 -41.44 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -58.08 -45.44 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.5 -53.03 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -43.5 -49.99 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLU . 13.3 t80 -68.1 -52.77 31.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' PHE . 21.4 mt-10 -34.79 -44.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 89' ' ' SER . 27.6 mtp180 -79.33 -47.02 16.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' ARG . 3.1 m -34.3 -46.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.09 164.86 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -46.99 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 m -133.14 131.77 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -120.64 81.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -71.8 119.79 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 m -86.36 -53.1 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.1 84.88 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -98.62 112.34 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -83.0 -21.95 33.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 151.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -106.48 167.41 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -109.4 -24.46 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -87.12 -54.07 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.2 -7.06 30.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 42.56 54.2 4.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -113.56 156.68 15.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -86.28 110.86 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.418 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 20.6 m-85 -142.01 150.43 56.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.45 37.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -45.56 -24.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.47 -44.06 96.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.68 37.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.3 mmm -137.34 156.21 48.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 96.4 m -130.69 129.17 42.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -99.92 129.35 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 28' ' ' CYS . 36.0 mt -78.39 132.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.45 25.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.655 ' H ' HG22 ' A' ' 23' ' ' ILE . 12.3 mm100 -118.7 -51.65 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.2 p -122.45 18.75 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 47.2 46.21 16.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' ILE . 58.6 m -108.69 120.28 42.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.72 141.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 72.1 m-85 -151.07 140.67 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -66.36 130.32 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' CYS . 95.7 m -32.67 -58.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 69.6 mt -36.12 -68.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.4 m -49.93 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.4 mt -38.57 -40.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 42.1 tttm -60.25 -62.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -56.65 -44.51 81.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 60.3 t80 -52.52 -72.18 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 51' ' ' ILE . 13.1 m -50.7 -44.54 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 39' ' ' VAL . 4.9 mt-10 -51.79 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.2 mp -48.61 -61.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -41.86 -36.88 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.62 -37.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' CE ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.36 -30.65 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -70.26 -62.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.76 -33.65 6.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.37 -68.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -87.09 109.02 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -74.68 -35.35 62.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.01 145.15 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.68 HG21 HG12 ' A' ' 39' ' ' VAL . 12.0 mm -105.1 79.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.2 p -61.37 -177.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 t -73.99 136.08 76.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.65 3.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -107.05 111.86 24.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.62 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.06 21.3 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.1 t -85.89 111.42 37.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -19.46 36.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -37.3 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.6 52.95 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 179.55 41.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.638 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 11.6 t60 -134.51 164.11 28.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.638 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mm? -100.38 113.68 26.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.84 -52.51 65.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -44.27 -43.46 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.23 -53.1 60.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 17.3 mt -61.55 -53.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -35.03 -49.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.9 m -77.92 -46.06 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 ttm -48.81 -61.05 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.12 157.67 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.93 -175.86 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -56.56 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -44.77 -24.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.8 mm -94.99 -59.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ILE . 15.7 tpt -34.05 -46.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -47.28 -51.41 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HD3' ' CE ' ' A' ' 44' ' ' LYS . 20.2 mtp85 -54.64 -27.81 42.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 9.3 t80 -87.81 -32.99 18.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -67.65 -58.15 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -41.55 -44.86 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.79 -38.34 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.29 -48.86 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' GLU . 68.1 t80 -58.19 -62.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 86' ' ' PHE . 5.1 mm-40 -35.78 -49.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -100.44 47.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 86' ' ' PHE . 5.2 t -101.41 147.5 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.79 -113.99 0.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.7 m -129.65 91.61 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.0 p -96.19 -60.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -61.12 116.55 4.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -142.21 113.57 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 73.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -161.01 110.48 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -89.53 -19.38 25.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.44 162.69 1.31 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.7 t -124.98 164.19 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.15 -32.23 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.84 -75.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.23 -14.98 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mt 47.55 47.82 17.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.34 -161.97 25.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.18 115.88 18.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -144.87 150.67 47.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.712 0.768 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.81 26.45 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.09 -33.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -48.83 -45.58 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.28 45.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.652 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.0 mmm -142.23 158.26 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -132.12 148.08 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -118.37 138.26 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG22 ' H ' ' A' ' 25' ' ' GLN . 4.8 mt -96.36 121.49 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.11 -14.75 61.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' H ' HG22 ' A' ' 23' ' ' ILE . 6.1 mm-40 -66.4 -54.47 23.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 p -127.39 26.95 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 41.27 42.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.7 m -102.45 129.81 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -100.86 130.5 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 43.1 m-85 -139.74 139.9 36.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -64.83 130.88 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' LEU . 84.9 m -33.72 -62.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.7 mp -33.55 -63.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.6 -61.37 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 39' ' ' VAL . 7.2 mt -46.17 -32.04 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 34.2 tttm -70.99 -68.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.25 -46.84 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 56.7 t80 -50.93 -71.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 51' ' ' ILE . 10.7 m -55.09 -33.31 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.72 -59.98 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.24 -49.76 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -48.05 -52.98 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.19 -44.74 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -57.25 -23.21 46.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.52 -70.27 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 118.48 -61.79 0.45 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLY . 17.7 tp -36.66 -53.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -73.51 133.36 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -99.99 -32.17 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.35 164.1 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.524 HG21 HG12 ' A' ' 39' ' ' VAL . 19.6 mm -113.08 86.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.8 t -65.44 170.27 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 t -56.17 134.31 75.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.727 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.73 3.01 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.03 118.11 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 6.26 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.24 23.41 11.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.02 120.37 61.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.85 36.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLN . 28.9 tttm -110.26 -13.01 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' LYS . 21.1 mt-30 35.95 52.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.97 128.2 19.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.2 m80 -75.81 -176.58 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 64' ' ' LEU . 3.3 mm? -101.85 138.61 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.37 144.47 56.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -56.44 -41.32 76.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -46.34 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.01 -57.22 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLU . 17.3 mt -52.43 -51.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ILE . 35.0 tp10 -35.54 -64.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.76 -37.02 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.9 tpp -47.75 -61.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.43 171.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.01 149.25 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -38.24 -48.35 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -46.61 -42.55 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' MET . 35.8 mm -85.03 -54.12 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ILE . 8.8 tpt -36.74 -50.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -44.16 -48.93 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.4 mtp180 -48.43 -48.08 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.21 -42.22 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -54.82 -49.94 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -61.81 -41.49 97.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 18.7 mt -53.96 -50.98 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -54.54 -51.78 64.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -45.19 -55.53 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -40.51 -46.54 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -124.83 83.87 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.2 t -169.48 143.52 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 121.55 -150.5 17.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.548 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.47 0.61 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 t -85.54 -55.94 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -51.04 -60.45 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.2 m 37.38 41.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -144.4 127.83 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 100.18 1.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -156.06 117.66 3.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -93.58 -18.67 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.97 157.78 14.75 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.86 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.6 t -112.0 166.46 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -99.05 -25.08 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 34' ' ' CYS . 30.3 mt -93.02 -74.77 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' LEU . 28.0 p -77.8 4.69 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 8' ' ' CYS . 4.5 mm? 33.1 45.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.502 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -101.86 144.76 16.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -85.45 101.61 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 8.0 m-85 -123.39 150.81 61.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.747 . . . . 0.0 110.954 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.69 -39.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -46.36 -43.09 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.5 40.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.3 mmm -136.85 157.12 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -127.58 125.12 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.4 m -101.55 133.01 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.31 131.56 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.68 25.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -115.26 -42.28 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.2 p -132.94 17.94 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 48.1 41.45 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -104.8 134.63 47.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.49 145.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 68.3 m-85 -152.31 156.15 39.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -77.19 126.13 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 19.8 m -32.37 -56.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -36.99 -62.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.606 ' HB3' HD12 ' A' ' 10' ' ' LEU . 99.5 m -57.68 -71.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.0 mt -37.61 -34.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -67.99 -52.34 36.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' HD23 ' A' ' 41' ' ' LEU . 36.9 mt-30 -69.38 -26.56 64.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 83.8 t80 -67.78 -62.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.703 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.7 m -63.49 -25.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.89 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -54.94 -40.52 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 25.6 mt -62.39 -53.86 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 39' ' ' VAL . 33.4 mt -59.13 -50.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -51.68 -36.93 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.64 -50.06 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.55 -45.3 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.5 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 42' ' ' LEU . 6.3 mp0 -56.21 116.29 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -95.18 -26.65 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.81 133.88 54.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.571 HG21 HG12 ' A' ' 39' ' ' VAL . 49.2 mm -90.06 83.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t -69.3 -179.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.3 135.36 91.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.85 -5.58 16.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.64 118.5 36.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -48.23 59.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.69 -35.78 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 13.5 t -41.27 106.59 0.44 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.2 Cg_endo -69.7 -12.89 33.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -92.73 -39.34 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.54 54.96 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 141.55 22.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -84.52 170.91 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.57 141.0 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -73.03 136.65 45.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.8 -40.47 13.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.43 -58.22 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.562 HD13 ' CE2' ' A' ' 81' ' ' TYR . 16.7 mt -52.18 -37.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.73 -59.4 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -66.09 -38.79 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 tpp -51.56 -65.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 69' ' ' ILE . 15.0 m -91.39 170.18 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 153.0 18.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.52 -50.42 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -44.73 -41.2 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -88.16 -58.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.7 tpt -35.39 -41.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -49.51 -48.71 47.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.6 mtp-105 -53.36 -55.95 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 69' ' ' ILE . 27.6 t80 -51.15 -55.84 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -54.3 -44.1 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -60.77 -51.41 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.3 mt -47.78 -47.44 30.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.86 -51.69 66.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -41.22 -49.36 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -53.45 -47.89 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -116.93 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.6 t -146.73 110.37 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 158.07 -97.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 136.29 32.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.419 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -137.81 105.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.1 m -60.67 -47.66 85.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.565 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 58.37 42.52 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -166.07 159.93 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.12 -80.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -50.19 154.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -112.14 -24.4 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.02 152.65 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.04 164.38 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -102.82 -14.44 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 3.88 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.4 mm? 39.32 45.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 15' ' ' TYR . . . -102.32 136.61 12.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.13 102.86 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 10.7 m-85 -125.88 150.74 69.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 142.52 48.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -48.25 -21.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -66.9 -36.66 82.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -99.16 36.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.5 mmm -135.5 160.17 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 m -129.56 124.14 33.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 m -95.62 138.92 32.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 28' ' ' CYS . 7.8 mt -96.9 128.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.55 22.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -112.63 -47.31 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.02 22.06 4.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 42.67 47.97 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.6 m -110.36 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 14.4 tt -99.62 142.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 42.5 m-85 -152.72 147.76 26.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.3 p -67.94 126.21 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 40.2 m -32.05 -52.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 58.6 mt -39.25 -68.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.7 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 mt -39.56 -37.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.5 ttmt -65.05 -69.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -51.11 -38.42 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.71 -72.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG12 HG21 ' A' ' 51' ' ' ILE . 6.6 m -54.12 -34.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -52.88 -52.6 56.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.05 -42.18 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mp -58.7 -52.13 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 77' ' ' ILE . 85.1 mt -59.34 -45.4 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -59.81 -37.34 78.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.96 -66.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.507 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 114.64 -50.57 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 tp -48.79 -50.49 33.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.02 77.82 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -55.51 -34.49 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.82 170.78 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.588 HG21 HG12 ' A' ' 39' ' ' VAL . 13.0 mm -120.91 86.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -65.05 174.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.22 136.57 91.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.695 0.759 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.81 4.87 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.609 2.206 . . . . 0.0 112.41 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -104.53 155.5 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -34.56 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 59' ' ' PRO . . . -98.18 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.81 105.19 17.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 53.7 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -106.07 -28.45 10.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 47.83 53.33 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.94 156.5 20.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -104.76 176.19 5.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.86 150.5 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.0 168.21 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.43 -45.56 53.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -58.58 -39.53 80.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.86 -57.33 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.71 -46.24 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -38.11 -62.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.9 t -74.94 -37.4 62.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -45.77 -59.12 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -102.66 170.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.54 172.38 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.79 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.29 -51.33 14.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 78' ' ' MET . 43.6 mm -71.54 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.8 tpt -36.45 -50.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -46.93 -47.77 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.4 mtp-105 -59.47 -48.2 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.72 -30.27 71.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 3.0 pttm -72.37 -29.2 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 46' ' ' GLY . 14.5 mt -66.75 -47.84 71.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.02 -45.57 73.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -45.57 -41.45 9.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.09 -49.36 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.8 23.79 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -134.92 116.31 14.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.09 168.45 36.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' PRO . 35.2 t -33.59 117.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -81.53 106.2 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -107.01 130.99 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -89.55 -51.54 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.9 68.23 3.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.411 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -118.87 138.91 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -98.51 -23.46 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.3 132.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 t -87.51 165.91 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -102.49 -37.35 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' A' ' 34' ' ' CYS . 92.7 mt -72.12 -75.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.45 -24.7 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt 61.38 43.51 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.41 144.14 15.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.9 114.27 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -135.53 152.52 76.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.728 0.775 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HG2' ' OE1' ' A' ' 19' ' ' GLN . 54.0 Cg_endo -69.76 140.85 43.69 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.36 -25.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -57.47 -48.53 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 12.6 mp0 -92.21 36.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -136.36 158.29 44.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.659 ' C ' HD12 ' A' ' 29' ' ' ILE . 54.3 m -132.03 128.68 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -97.59 135.47 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 25' ' ' GLN . 8.8 mt -93.79 144.93 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.32 6.1 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.9 mm-40 -96.35 -44.95 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 p -131.55 25.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 38.33 44.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -100.23 168.64 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 6' ' ' SER . 3.9 tp -140.31 146.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' N ' HG13 ' A' ' 29' ' ' ILE . 65.5 m-85 -153.38 156.21 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -77.42 124.94 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 62.3 m -32.19 -54.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' THR . 34.0 mt -36.9 -65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.72 ' HB3' HD12 ' A' ' 10' ' ' LEU . 84.0 m -56.77 -70.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.9 mt -36.29 -35.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.1 tttm -63.49 -67.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -58.81 -29.78 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.38 -72.29 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.713 HG12 HG21 ' A' ' 51' ' ' ILE . 6.3 m -56.53 -24.78 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -72.02 -54.92 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.54 -38.26 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.62 -54.13 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 39' ' ' VAL . 54.5 mt -58.25 -42.94 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -57.07 -27.87 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.888 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -69.71 -69.95 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.98 -31.61 6.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.888 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -52.81 -28.16 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -113.81 142.4 46.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -107.91 -26.75 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.73 124.25 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.713 HG21 HG12 ' A' ' 39' ' ' VAL . 26.1 mm -77.73 101.46 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -77.45 170.27 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.1 130.05 94.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.02 6.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 43.4 t0 -90.23 146.78 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -98.44 -34.66 10.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.85 30.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.7 t -92.52 106.95 20.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.02 37.1 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -92.82 -30.01 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 49.94 52.22 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.26 -177.68 51.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.8 -177.66 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -106.25 139.27 41.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 20.6 mm-40 -85.13 -178.88 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -75.81 -43.85 44.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 12.0 p30 -39.37 -44.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ILE . 43.5 mp0 -72.58 -71.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.547 HG22 ' SD ' ' A' ' 78' ' ' MET . 78.2 mt -35.12 -44.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -40.85 -66.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.03 -40.33 62.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.466 ' SD ' HG21 ' A' ' 39' ' ' VAL . 38.5 ttm -42.01 -50.6 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 m -113.46 169.77 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.99 159.17 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.0 -54.79 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -43.7 -46.19 7.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.44 HD13 ' HE ' ' A' ' 80' ' ' ARG . 31.7 mm -75.81 -56.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 69' ' ' ILE . 10.0 tpt -39.01 -49.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.56 -46.39 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HE ' HD13 ' A' ' 77' ' ' ILE . 56.8 mtt-85 -53.74 -51.98 61.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -54.13 -58.32 7.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -53.38 -35.3 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -66.08 -35.71 81.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.97 -54.1 46.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' ARG . 49.3 mm-40 -57.85 -61.61 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 4.7 t80 -35.14 -56.31 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.85 -39.94 95.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' GLN . 23.3 mmm180 -107.83 83.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.2 p -137.89 161.15 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.4 -140.62 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.13 27.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -50.53 131.16 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.1 m -83.64 83.2 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.441 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -118.04 157.63 26.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -139.8 121.35 15.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.92 -39.8 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -57.06 130.55 46.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.914 0.388 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -99.04 -24.66 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.4 156.25 30.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 12' ' ' LEU . 12.0 t -119.69 167.05 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -103.48 -39.62 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 34' ' ' CYS . 16.3 mt -74.7 -73.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -76.12 -19.72 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 8' ' ' CYS . 6.7 mt 55.01 46.97 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.0 169.66 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.3 121.11 39.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.39 151.54 47.68 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 132.65 23.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.1 m -44.33 -36.71 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.91 -54.54 23.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.58 -37.96 83.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.9 mmm -58.5 165.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 11.8 m -132.11 118.06 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -90.75 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.8 mt -91.72 130.73 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 27.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' H ' HG22 ' A' ' 23' ' ' ILE . 25.3 mm-40 -119.75 -48.98 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 p -128.78 26.7 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 39.97 47.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -110.0 128.71 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tt -100.47 144.24 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 76.6 m-85 -153.09 134.29 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -59.43 131.29 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 33.5 m -32.61 -63.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' THR . 29.7 mt -35.19 -69.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' HD12 ' A' ' 10' ' ' LEU . 93.6 m -51.98 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.689 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -34.53 -36.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpp -71.07 -56.37 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 mp0 -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 49.3 t80 -65.47 -62.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 HG21 ' A' ' 51' ' ' ILE . 14.1 m -60.61 -32.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.46 -60.74 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 2.6 mp -49.01 -48.05 43.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 51' ' ' ILE . 12.7 mt -53.21 -41.05 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.69 -46.28 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD2' ' NH1' ' A' ' 80' ' ' ARG . 1.3 mmmm -49.84 -45.55 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.18 -68.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 117.89 -55.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.5 tp -38.12 -59.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -83.29 111.48 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.7 m -84.9 -53.79 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.59 145.17 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.624 HG21 HG12 ' A' ' 39' ' ' VAL . 47.4 mt -116.61 85.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.1 t -70.82 -175.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.69 135.47 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.83 0.26 5.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.602 2.202 . . . . 0.0 112.393 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -109.23 112.14 24.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.23 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 25.48 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 t -98.89 114.7 65.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.02 15.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.393 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -100.56 -45.69 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 65.65 46.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.88 128.77 8.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.7 m80 -85.29 176.52 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.44 141.06 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.28 171.63 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' CE ' ' A' ' 78' ' ' MET . 8.7 tp10 -71.03 -52.9 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -49.24 -45.63 44.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.18 -54.62 43.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.12 -51.96 66.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -39.64 -58.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.57 -44.08 83.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.689 ' SD ' HD22 ' A' ' 35' ' ' LEU . 16.3 ttm -45.5 -57.86 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.61 170.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.97 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.68 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.04 -39.12 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.9 mm -81.85 -61.39 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.466 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 14.6 tpt -34.86 -55.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -38.51 -48.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.449 ' NH1' ' HD2' ' A' ' 44' ' ' LYS . 86.2 mtt180 -55.58 -45.13 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.47 -55.69 25.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -46.35 -51.57 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -56.59 -52.07 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 46' ' ' GLY . 21.5 mt -48.65 -50.15 34.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -46.39 -57.79 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.78 -54.08 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.68 -46.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -112.62 45.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -87.17 -56.12 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.97 164.2 35.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 98.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.619 2.213 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.5 m -80.25 82.82 6.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.8 t -105.4 110.57 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.421 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -157.08 122.19 4.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -97.99 45.46 1.02 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.48 111.19 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 p -153.34 133.39 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.484 ' HB3' HG21 ' A' ' 29' ' ' ILE . 4.3 m -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 118.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 t -86.9 140.92 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -101.36 10.13 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 54' ' ' PRO . 83.7 mt -108.47 -45.78 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -114.14 -15.35 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt 64.94 51.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -124.69 123.18 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.6 119.89 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 20.2 m-85 -138.91 152.37 70.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.683 0.754 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.53 42.87 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -46.82 -20.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.41 -41.25 85.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.44 38.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.0 mmm -136.94 155.8 49.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 21.5 m -126.67 131.46 51.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.0 m -98.74 133.25 43.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.769 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.3 mt -86.28 128.99 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . . . -87.12 23.46 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.769 ' H ' HG22 ' A' ' 23' ' ' ILE . 18.7 mt-30 -115.9 -45.26 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.8 p -134.03 32.86 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 36.7 43.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.8 m -105.01 125.43 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 6' ' ' SER . 8.7 tt -99.7 143.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 74.7 m-85 -153.26 150.08 28.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.4 p -69.34 127.33 32.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.2 m -32.58 -62.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' THR . 45.1 mt -35.57 -68.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 m -46.81 -66.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.63 HD13 ' HE1' ' A' ' 72' ' ' MET . 7.4 mt -41.06 -45.02 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -54.64 -60.69 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.47 -46.35 86.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.515 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 86.4 t80 -49.48 -60.18 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 HG21 ' A' ' 51' ' ' ILE . 8.2 m -67.03 -36.54 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.41 -65.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.57 -42.13 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 51' ' ' ILE . 19.0 mt -56.27 -46.84 79.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 81' ' ' TYR . 77.8 mt -70.0 -42.51 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.41 -36.61 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -58.3 -58.87 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.07 -41.02 2.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.85 -59.46 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.76 120.71 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -87.88 -30.87 19.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' O ' HD13 ' A' ' 51' ' ' ILE . . . -108.74 167.15 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 50' ' ' ALA . 28.0 mm -119.4 93.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -71.24 -178.97 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -72.2 134.78 82.59 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.687 0.756 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.1 Cg_endo -69.85 -4.0 13.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.604 2.203 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.84 105.69 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.77 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.92 38.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 t -89.85 121.79 68.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.25 32.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -109.74 -24.39 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 49.74 50.64 17.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.02 -171.98 45.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -131.91 -177.45 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.325 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.37 107.2 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.575 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.5 OUTLIER -64.52 139.73 58.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.36 -33.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.08 -42.12 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.11 -65.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLU . 22.4 mt -44.11 -48.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ILE . 22.0 tt0 -35.19 -66.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' MET . 17.0 t -72.04 -46.31 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.63 ' HE1' HD13 ' A' ' 35' ' ' LEU . 10.1 tpp -36.77 -50.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -108.75 166.14 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.19 170.31 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.32 -58.51 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -39.12 -44.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.4 mm -78.7 -63.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.3 tpt -34.05 -48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -39.3 -49.43 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.19 -58.6 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.614 ' HB2' HD13 ' A' ' 43' ' ' ILE . 30.9 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -56.65 -38.04 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -60.96 -41.32 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 ' HA2' ' A' ' 46' ' ' GLY . 70.0 mt -60.65 -57.56 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' PHE . 8.5 mm100 -59.87 -55.29 35.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLN . 47.8 t80 -36.9 -56.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -57.49 -52.72 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -94.04 43.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -100.53 39.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.97 -126.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 157.04 61.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 t -69.3 106.64 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.6 t -42.27 -45.41 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.479 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -52.93 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -70.06 123.6 21.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.17 122.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 p -140.54 118.44 11.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -91.79 -19.34 22.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 151.94 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -116.22 168.25 10.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -104.28 -45.1 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.8 mt -67.31 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.49 -22.8 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 57.16 39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.8 174.6 20.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -97.86 125.07 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -147.64 152.07 40.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.26 27.45 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 18' ' ' GLU . 1.3 p -47.78 -39.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 7.1 pt-20 -51.93 -36.46 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -83.84 -38.28 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.7 mmm -62.32 153.64 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 38.2 m -126.08 130.16 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -102.14 121.56 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 25' ' ' GLN . 21.2 mt -74.58 130.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.7 23.86 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.3 mm100 -114.83 -47.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.4 p -128.94 26.34 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 39.2 49.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -111.78 121.36 44.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 tt -91.44 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 67.5 m-85 -153.27 144.38 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' THR . 18.6 p -71.38 129.17 38.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' CYS . 88.4 m -32.29 -46.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.35 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 10' ' ' LEU . 86.4 m -49.5 -60.92 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.9 mt -46.83 -39.12 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -63.88 -65.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -56.06 -28.23 56.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -67.72 -72.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG12 HG21 ' A' ' 51' ' ' ILE . 12.3 m -51.92 -17.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.175 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -83.77 -45.99 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.52 -32.41 74.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.79 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.1 -54.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.44 -46.02 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.43 -57.66 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 84' ' ' LEU . . . 98.28 -41.03 2.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.5 tt -46.24 -61.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.79 80.82 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 t -51.47 -38.91 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.76 142.5 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 39' ' ' VAL . 37.2 mm -107.04 88.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 10.4 t -70.74 -178.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.0 t -78.38 136.6 60.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.86 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -102.7 116.15 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.31 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 41.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 34.1 t -87.61 109.27 25.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.707 0.765 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.0 Cg_endo -69.75 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -104.8 -25.86 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 52.14 47.72 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.03 173.49 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 11.2 m80 -132.65 177.79 7.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.47 139.99 33.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.33 175.57 9.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.94 -63.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -40.75 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.08 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 15.3 mt -71.74 -53.24 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 42.2 tt0 -34.16 -62.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.86 -41.67 97.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpp -45.22 -52.08 9.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.3 m -108.45 178.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.03 -178.69 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.52 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.26 -45.03 65.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.0 mm -77.49 -58.23 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.2 tpt -34.29 -56.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 36.8 tt0 -35.93 -49.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -50.44 -53.82 26.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.76 -57.37 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.17 -44.02 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -54.04 -49.02 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' HA2' ' A' ' 46' ' ' GLY . 83.0 mt -57.65 -44.06 85.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.62 -45.06 85.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.43 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -101.89 80.78 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.7 t -174.78 137.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.09 19.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 116.45 4.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.7 m -77.2 98.06 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 m -49.8 111.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -130.74 158.99 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -112.36 117.27 32.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 -115.5 0.92 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.535 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -85.82 144.33 27.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -116.12 -19.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.62 138.13 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -97.16 166.53 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -104.64 -15.47 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 54' ' ' PRO . 6.3 mt -100.61 -61.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.2 p -91.54 4.5 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.9 mm? 36.07 47.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -105.78 151.04 17.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -94.53 95.93 9.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CE1' ' HA3' ' A' ' 13' ' ' GLY . 8.9 m-85 -115.04 150.15 43.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.656 0.741 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.73 40.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -46.56 -25.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.06 -41.27 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -106.51 44.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.716 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.4 mmm -136.89 155.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.6 m -132.75 141.91 48.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -115.38 132.8 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.1 mt -87.51 126.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.22 0.32 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.017 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.618 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.3 mm-40 -85.79 -60.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.61 25.76 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 41.86 36.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -98.58 132.75 43.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -107.82 137.09 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 29' ' ' ILE . 89.5 m-85 -145.15 151.24 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -72.75 127.64 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.7 m -32.41 -49.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -41.39 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -53.82 -55.43 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD22 ' HE1' ' A' ' 72' ' ' MET . 4.7 mt -49.41 -31.6 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -74.33 -68.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -51.93 -30.12 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -62.7 -71.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.827 HG12 HG21 ' A' ' 51' ' ' ILE . 4.5 m -58.91 -24.82 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.89 -61.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.93 -47.19 71.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.38 -56.67 13.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.38 -43.42 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -55.34 -42.58 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.45 -64.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.451 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 111.1 -40.74 2.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.52 -60.07 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.89 86.47 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -69.26 -45.82 68.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.17 23.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.827 HG21 HG12 ' A' ' 39' ' ' VAL . 64.9 mt -92.73 88.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -71.88 -176.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.2 t -61.68 135.21 94.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' O ' HD21 ' A' ' 10' ' ' LEU . 53.4 Cg_endo -69.8 2.11 3.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.5 130.72 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.24 -3.99 58.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.29 18.07 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.47 115.05 62.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -24.18 29.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -44.84 14.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 67.45 46.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.85 146.42 50.29 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 33.7 t60 -99.19 165.07 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.2 mm? -100.92 106.87 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -50.66 166.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.4 tt0 -61.42 -62.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' GLU . 19.9 t-20 -34.99 -49.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.67 -54.4 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 51' ' ' ILE . 22.3 mt -63.08 -47.02 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -37.96 -56.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.62 -33.45 58.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 35' ' ' LEU . 31.4 ttm -54.85 -65.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 m -92.5 158.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 157.66 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.01 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.54 -45.85 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -77.66 -55.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' GLN . 10.1 tpt -37.13 -55.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' MET . 24.7 tt0 -34.81 -51.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -52.15 -48.42 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' MET . 90.7 t80 -65.4 -40.08 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.25 -47.95 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 31.5 pttt -69.42 -33.08 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD11 ' HA2' ' A' ' 46' ' ' GLY . 13.7 mt -62.69 -36.46 83.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.82 -43.49 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.59 -56.21 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -40.74 -45.49 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -103.14 79.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.0 t -171.37 124.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.29 176.09 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 147.67 63.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.275 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.4 p -64.97 128.42 35.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -132.73 146.62 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.475 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -117.84 131.82 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -81.58 48.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.49 161.51 11.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.414 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 p -164.41 125.3 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' OG ' HG12 ' A' ' 17' ' ' VAL . 18.5 m -109.59 -18.57 13.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 125.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.9 166.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -105.48 -36.12 7.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.24 -65.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.47 -20.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt 53.77 48.63 20.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.4 142.94 17.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.67 116.68 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.96 151.73 56.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 135.58 30.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' OG ' ' A' ' 6' ' ' SER . 27.1 m -43.17 -24.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.16 -42.19 90.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -96.65 41.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' ILE . 50.1 mmm -139.59 160.87 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.1 m -130.84 132.21 45.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 m -106.39 132.91 51.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' ' 28' ' ' CYS . 21.6 mt -83.09 142.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.68 31.14 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -126.7 -43.53 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' GLN . 13.5 p -131.45 28.69 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 45.4 mm-40 35.56 47.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -108.09 127.39 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 20' ' ' MET . 6.3 tt -101.71 145.26 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 83.7 m-85 -153.36 148.99 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' THR . 19.8 p -70.72 130.27 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' CYS . 25.9 m -35.61 -49.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 85.0 mt -45.03 -69.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.8 m -49.44 -58.11 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.8 mt -49.12 -37.23 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 43.3 tttt -65.44 -68.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.504 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.5 mp0 -50.73 -42.18 57.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 66.4 t80 -55.74 -72.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.987 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG12 HG21 ' A' ' 51' ' ' ILE . 13.9 m -50.46 -40.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 39' ' ' VAL . 12.3 mt-10 -51.28 -58.98 4.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -52.09 -47.13 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.86 HD22 HG23 ' A' ' 51' ' ' ILE . 7.1 mp -54.17 -54.75 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.83 -48.11 62.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -54.42 -46.43 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.31 -58.02 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.87 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.36 -59.32 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.99 84.47 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -62.42 -36.03 81.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.95 125.82 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 42' ' ' LEU . 55.9 mt -97.77 114.7 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -94.86 174.36 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -60.14 134.89 90.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 0.7 5.35 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.32 110.37 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.24 70.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.72 32.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 t -101.16 114.74 65.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.5 Cg_endo -69.77 -1.29 8.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.5 tppp? -122.76 -19.08 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 60' ' ' LYS . 1.9 pt20 32.08 45.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 125.55 33.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -68.73 169.46 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.67 146.94 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' CD ' ' A' ' 65' ' ' GLN . 2.2 mp0 -82.66 155.09 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.17 -40.79 86.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -56.45 -42.93 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.05 -59.61 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.675 ' CD1' HD12 ' A' ' 51' ' ' ILE . 68.7 mt -50.24 -40.71 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.68 -46.65 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 48.7 t -76.48 -48.71 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -56.73 3.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.58 151.05 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.64 172.32 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.77 -55.36 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -40.02 -40.49 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' MET . 46.5 mm -84.78 -61.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ILE . 14.2 tpt -33.11 -48.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -47.71 -48.76 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ILE . 69.8 mtt180 -53.28 -25.86 16.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -88.72 -40.07 13.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -60.08 -51.45 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 34.6 pttt -58.33 -41.91 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 15.1 mt -46.86 -50.52 18.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.69 -55.27 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 5.6 t80 -43.04 -52.68 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.65 -44.88 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -121.76 84.05 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.5 p -129.06 151.28 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.44 -172.3 41.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 110.22 2.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.5 m -91.94 129.73 37.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.5 t -151.83 132.49 13.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.533 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -109.69 150.13 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.66 142.86 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.63 58.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 m -137.01 156.18 48.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -101.71 -35.41 9.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.2 83.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.55 154.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -96.69 -28.97 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 34' ' ' CYS . 88.3 mt -76.62 -70.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 p -91.94 -26.4 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD12 ' C ' ' A' ' 11' ' ' CYS . 1.2 mp 56.63 54.55 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -80.92 -9.02 86.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 66.94 53.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 34.5 m-85 -90.9 152.77 44.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.647 0.736 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 143.78 51.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -40.74 -37.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -49.77 -43.67 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.27 47.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.4 mmm -147.13 162.24 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.3 m -131.46 129.57 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -100.23 125.79 46.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.766 HD12 ' HB2' ' A' ' 28' ' ' CYS . 29.3 mt -78.43 128.19 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.69 21.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.0 mm-40 -115.79 -45.95 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' GLN . 11.8 p -131.55 31.71 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' CYS . 77.3 mm-40 34.4 42.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.766 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.0 m -103.41 122.53 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 tp -93.35 144.74 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 43.0 m-85 -153.24 140.89 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.0 p -67.82 131.75 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 97.4 m -32.45 -65.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' THR . 12.7 mt -35.85 -67.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.678 ' HB3' HD12 ' A' ' 10' ' ' LEU . 19.0 m -45.61 -59.04 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' CE ' ' A' ' 72' ' ' MET . 8.0 mt -51.04 -34.8 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.93 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -32.27 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.84 -72.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 51' ' ' ILE . 12.2 m -51.34 -35.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.229 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.59 -65.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.38 -43.19 23.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 51' ' ' ILE . 12.6 mt -58.24 -59.95 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 61.8 mt -52.18 -56.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.2 mptm? -37.72 -43.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.18 -68.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.61 -37.97 3.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.29 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.72 134.67 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' ' 85' ' ' GLN . 12.2 m -94.34 -29.1 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.63 161.22 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 39' ' ' VAL . 39.5 mm -109.22 110.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.6 p -84.47 -177.59 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.93 135.73 85.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.489 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 3.15 2.95 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 62.7 t0 -102.8 143.2 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -93.01 -35.27 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.81 33.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.2 t -102.95 100.03 15.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.99 35.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -42.15 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 66.93 47.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.9 120.51 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -84.97 162.19 19.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.97 117.74 31.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.12 -175.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 20.0 tt0 -74.92 -49.72 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 11.8 t30 -36.62 -65.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' ILE . 13.7 mp0 -48.83 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.559 HG22 ' SD ' ' A' ' 78' ' ' MET . 85.2 mt -37.8 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' ILE . 38.1 tt0 -35.51 -44.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.64 -48.75 20.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.57 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -45.4 -58.61 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.45 150.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -174.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.98 58.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -43.24 -32.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 78' ' ' MET . 23.1 mm -91.01 -59.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.559 ' SD ' HG22 ' A' ' 69' ' ' ILE . 11.3 tpt -34.18 -44.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -46.52 -50.05 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -48.43 -49.46 35.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -59.01 -55.41 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -53.83 -41.45 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -59.34 -38.53 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.26 -57.41 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.556 ' HG2' HG22 ' A' ' 49' ' ' THR . 70.8 mt-30 -58.63 -56.2 25.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 85' ' ' GLN . 15.0 t80 -34.43 -50.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -46.19 -49.15 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 8.8 mtp-105 -75.2 -47.45 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' ARG . 5.2 t -34.63 -44.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.56 136.79 7.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.7 5.01 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 91' ' ' PRO . 40.9 t -29.62 134.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.8 p -64.2 96.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.456 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -146.75 133.44 19.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -112.1 137.65 49.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 -47.82 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -45.31 154.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -126.55 -23.2 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.14 122.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 21.8 t -82.23 118.07 22.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -63.06 -5.64 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 34' ' ' CYS . 26.3 mt -101.62 -64.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' LEU . 27.6 p -95.96 19.48 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.7 tp 32.85 48.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.613 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -115.03 135.99 12.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.31 105.99 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 23.3 m-85 -128.78 152.64 79.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.683 0.754 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.43 53.91 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 m -51.1 -20.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.02 -37.65 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -104.97 34.91 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.4 mmm -135.28 153.36 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -131.92 129.52 40.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -103.97 125.27 50.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -80.88 136.76 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 28.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.055 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -115.45 -43.87 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -131.32 16.59 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 50.67 43.94 27.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.2 m -105.92 139.35 40.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 tt -113.5 143.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 66.2 m-85 -153.16 154.61 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 p -78.7 132.62 37.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 86.8 m -32.46 -65.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.515 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.0 mm? -33.96 -58.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB3' HD13 ' A' ' 10' ' ' LEU . 3.6 m -57.59 -67.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 4.1 mt -47.77 -23.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -76.36 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -57.36 -38.35 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 92.2 t80 -55.21 -67.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 51' ' ' ILE . 5.7 m -60.97 -36.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.94 -65.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -49.18 -48.8 44.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 51' ' ' ILE . 37.3 mt -51.83 -43.14 63.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.93 -40.56 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -61.63 -35.72 78.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.14 -58.61 7.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.68 30.94 9.86 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -110.26 -75.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -87.18 100.8 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -55.53 -61.95 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.78 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 69' ' ' ILE . 65.6 mt -104.17 112.32 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 p -88.43 -178.06 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.39 135.62 96.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.5 Cg_endo -69.81 0.98 4.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.61 116.39 32.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.29 -11.67 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.63 24.63 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.75 108.51 40.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -100.37 -30.09 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 53.49 48.89 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.83 125.65 30.86 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -80.21 167.98 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.57 121.79 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -69.84 151.7 45.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 38.5 tt0 -51.1 -52.51 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 p30 -36.71 -48.62 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.41 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 HD12 ' A' ' 51' ' ' ILE . 52.7 mt -48.15 -45.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ILE . 7.9 tm-20 -35.17 -66.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.21 -42.51 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.0 tpp -38.39 -48.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.68 173.56 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.99 178.2 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.85 -41.11 10.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.8 mm -80.8 -63.44 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.1 tpt -34.38 -46.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -46.3 -50.82 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -51.43 -51.92 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.35 -56.4 11.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.15 -44.48 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -56.07 -44.8 79.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.65 -40.51 75.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -64.68 -53.17 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' GLU . 32.5 t80 -42.26 -53.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' PHE . 46.2 mt-10 -35.27 -50.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' SER . 26.9 mtt-85 -95.97 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -35.05 143.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.02 -100.28 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -21.19 33.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.42 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -100.29 136.86 39.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -67.09 148.75 51.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.506 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -38.63 138.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -75.97 -55.49 5.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.85 117.1 0.51 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -71.62 108.71 5.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m -65.94 -23.4 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.01 105.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -67.08 168.17 10.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -106.1 -41.15 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 34' ' ' CYS . 34.9 mt -70.36 -67.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -79.94 -24.38 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.74 50.13 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.93 141.84 17.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.86 113.15 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -141.05 152.63 65.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.81 68.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.56 -21.06 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.44 40.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.0 mmm -138.33 158.99 43.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -133.27 127.94 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -107.55 137.61 45.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.8 mt -85.66 148.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.58 8.26 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -99.01 -63.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -104.88 -5.26 21.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 0.1 OUTLIER 66.02 49.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.6 m -110.23 129.55 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.2 tt -96.68 141.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 62.2 m-85 -152.79 146.15 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.9 p -71.54 125.95 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 31' ' ' CYS . 22.3 m -32.0 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -44.34 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.622 ' HB3' HD12 ' A' ' 10' ' ' LEU . 88.3 m -51.2 -67.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 10.0 mt -39.25 -41.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.38 -54.87 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.6 mp0 -65.03 -28.57 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -69.22 -59.1 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.633 ' O ' HD12 ' A' ' 43' ' ' ILE . 14.5 m -64.44 -24.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.63 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.9 mm? -50.76 -39.61 52.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' OE1' ' A' ' 48' ' ' GLU . 13.0 mt -66.83 -57.21 7.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 39' ' ' VAL . 36.6 mt -55.99 -56.65 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -40.25 -41.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -52.99 -59.83 4.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.18 -49.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' OE1' HD22 ' A' ' 42' ' ' LEU . 6.4 tt0 -78.47 145.78 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -108.72 -42.34 4.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.88 153.34 22.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 39' ' ' VAL . 25.4 mm -115.48 86.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.8 m -62.11 179.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.73 135.47 83.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -73.5 153.19 40.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.37 -24.05 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.58 49.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -103.63 101.91 27.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.1 32.24 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.739 2.292 . . . . 0.0 112.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 25' ' ' GLN . 5.5 tmtt? -92.21 -37.24 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 59.99 53.41 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.9 134.67 13.32 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -87.81 169.82 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.57 125.97 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.75 158.11 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.93 -58.32 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -38.67 -46.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.84 -61.08 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLU . 53.2 mt -53.84 -53.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' ILE . 34.9 tt0 -37.28 -64.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.19 -46.67 76.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HG11 ' A' ' 39' ' ' VAL . 33.5 ttm -41.08 -51.72 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.58 179.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -100.31 152.89 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -36.48 -55.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -42.08 -50.48 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.4 mm -73.84 -58.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.2 tpt -35.34 -57.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 25.6 tt0 -36.72 -53.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.75 -47.18 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -54.96 -52.48 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -59.03 -47.27 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -47.61 -47.05 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.498 HD11 ' HA2' ' A' ' 46' ' ' GLY . 96.0 mt -59.37 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.99 -49.45 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -48.98 -47.92 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.2 -46.88 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -110.9 79.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -130.42 165.0 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.7 -164.68 12.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.89 49.06 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.638 2.226 . . . . 0.0 112.314 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.3 m -111.04 120.67 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -81.21 43.85 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -147.1 160.24 42.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -127.14 138.77 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.27 42.62 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -138.22 107.3 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -89.2 -25.01 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.76 104.92 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 t -62.43 165.8 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -108.63 -20.06 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.2 mt -88.4 -59.23 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 13' ' ' GLY . 24.6 p -103.32 15.19 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.6 tp 34.31 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -91.56 142.74 16.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 112.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 18.0 m-85 -133.78 151.82 77.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.74 0.781 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.84 121.42 8.09 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.595 2.197 . . . . 0.0 112.366 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -35.09 -31.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' PRO . 54.0 mm-40 -51.58 -54.92 22.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.39 -39.52 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.7 mmm -54.08 166.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 99.8 m -133.19 105.46 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -80.54 121.39 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 ' HB2' ' A' ' 28' ' ' CYS . 11.2 mt -77.9 135.41 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.02 25.29 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.594 ' H ' HG22 ' A' ' 23' ' ' ILE . 42.4 mm-40 -118.25 -47.06 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 20.4 p -128.88 27.38 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.5 mp0 36.54 49.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.641 ' HB2' HD12 ' A' ' 23' ' ' ILE . 60.8 m -111.93 122.85 48.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 15.7 tt -93.52 141.29 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 55.9 m-85 -152.99 138.77 17.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -66.44 132.2 47.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 97.7 m -35.47 -65.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' A' ' 33' ' ' LEU . 3.9 mm? -32.27 -67.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.713 ' HB3' HD12 ' A' ' 10' ' ' LEU . 51.4 m -48.35 -66.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.5 mt -40.19 -43.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.05 -63.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.02 -38.55 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -58.26 -71.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 HG21 ' A' ' 51' ' ' ILE . 10.5 m -51.69 -24.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.94 -57.34 4.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.97 -37.13 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.28 -54.91 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 39' ' ' VAL . 22.9 mt -50.67 -54.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -44.81 -41.47 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.36 -58.8 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.455 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 86.81 37.02 8.78 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.2 tp -104.33 -63.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -95.43 93.01 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 p -41.13 -35.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.33 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.863 HG21 HG12 ' A' ' 39' ' ' VAL . 14.0 mm -87.88 97.81 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -65.57 175.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.51 135.79 94.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.2 Cg_endo -69.73 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -95.45 161.75 13.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.61 -21.27 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.42 43.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.81 102.12 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -94.05 -35.88 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 60.24 48.77 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.49 136.33 18.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.65 168.01 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.33 123.22 45.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' ILE . 71.6 mt-30 -73.58 143.12 46.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -44.9 -38.97 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -40.92 -34.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -84.38 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.7 mp -37.41 -45.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' ILE . 12.8 tm-20 -37.14 -67.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 85.6 m -76.25 -42.27 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 ttm -40.39 -52.63 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 69' ' ' ILE . 14.9 m -104.26 150.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.68 -176.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLN . . . -74.09 -57.3 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 79' ' ' GLN . 2.6 pt-20 -47.17 -21.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.4 mm -92.46 -48.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 tpt -54.16 -37.74 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -45.76 -46.98 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -58.99 -53.6 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CD2' ' OE1' ' A' ' 85' ' ' GLN . 30.3 t80 -51.56 -60.65 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -41.94 -39.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -70.83 -45.7 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 11.9 mt -52.83 -54.8 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.476 ' OE1' ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt-30 -55.24 -45.65 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -53.76 -51.3 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -45.64 -47.08 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -97.88 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -100.21 105.62 17.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 91' ' ' PRO . . . -176.09 -62.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 90' ' ' GLY . 54.6 Cg_endo -69.65 112.6 3.1 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.77 2.313 . . . . 0.0 112.358 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.0 p -55.59 119.32 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.0 t -67.05 108.02 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.441 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -109.96 133.44 53.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -58.47 -57.02 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.1 112.05 0.85 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -126.89 163.37 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.831 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 m -120.04 -16.55 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.58 156.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.72 166.6 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -104.65 -32.02 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 34' ' ' CYS . 23.5 mt -78.52 -70.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -78.27 -23.24 47.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt 59.87 50.74 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.7 -175.44 21.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' C ' ' CG ' ' A' ' 15' ' ' TYR . 4.9 tt0 -109.52 128.3 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CG ' ' C ' ' A' ' 14' ' ' GLU . 8.0 m-85 -156.9 151.12 19.86 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.71 61.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.9 -14.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.18 -47.0 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.59 -39.48 64.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.444 ' HB3' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mmm -56.98 164.83 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -130.81 122.58 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -91.83 122.12 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 28' ' ' CYS . 43.8 mt -77.79 135.75 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.09 21.73 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' ILE . 7.5 mm-40 -117.85 -43.5 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' GLN . 19.5 p -131.17 25.0 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.5 mp0 37.28 51.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.71 ' HB2' HD12 ' A' ' 23' ' ' ILE . 54.4 m -109.31 147.97 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 20' ' ' MET . 13.1 tt -118.18 139.14 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.6 m-85 -151.87 144.16 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -65.36 128.49 36.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' LEU . 99.0 m -32.83 -60.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 33.1 mt -34.02 -67.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' HD12 ' A' ' 10' ' ' LEU . 94.4 m -50.78 -72.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 mt -37.47 -35.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.56 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.632 ' O ' HD23 ' A' ' 41' ' ' LEU . 27.7 mt-30 -56.34 -33.32 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.64 -71.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.478 HG12 HG21 ' A' ' 51' ' ' ILE . 5.8 m -56.36 -39.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 39' ' ' VAL . 17.8 mt-10 -52.18 -58.78 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.3 mm? -53.12 -38.35 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.538 HD12 HG23 ' A' ' 51' ' ' ILE . 80.7 mt -63.79 -68.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 69' ' ' ILE . 84.7 mt -51.96 -20.14 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -89.52 -28.45 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.85 -59.89 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.0 -32.5 7.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.95 -68.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -81.04 105.14 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 84' ' ' LEU . 77.9 m -73.11 -38.83 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.13 141.03 36.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 42' ' ' LEU . 20.4 mm -101.3 82.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -64.63 179.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.6 136.78 80.58 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.389 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -108.93 115.59 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.95 -9.17 57.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.34 28.54 7.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 18.1 t -91.95 107.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.7 Cg_endo -69.76 -14.17 35.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -92.55 -29.54 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 56.15 45.67 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.58 140.42 17.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -94.86 179.7 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.2 152.87 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -88.07 165.98 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.22 -63.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -45.65 -42.23 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.45 -40.67 92.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 43' ' ' ILE . 18.8 mt -73.21 -54.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 10.5 tt0 -34.14 -61.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.07 -38.75 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.1 ttm -55.34 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.3 m -86.95 173.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.39 175.86 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.34 91.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.75 -43.42 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' MET . 40.9 mm -81.15 -57.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.5 tpt -36.06 -45.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -52.04 -50.91 60.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -54.53 -25.33 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -80.27 -44.13 20.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -54.55 -54.46 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.91 -35.93 81.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.5 mt -60.11 -39.31 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -66.04 -28.46 68.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -76.19 -18.75 58.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.91 -48.91 56.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -80.97 12.28 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -104.87 -52.59 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.81 168.94 24.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.92 69.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -149.51 175.88 11.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 t -52.09 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.483 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -57.89 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -47.87 -51.15 24.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.75 -84.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -38.71 149.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -99.67 -16.99 17.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.56 133.13 2.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.42 166.78 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -103.99 -36.97 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 20.8 mt -78.19 -73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -72.55 -15.83 61.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 mt 53.0 45.0 29.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.86 -161.17 25.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -137.22 107.96 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.68 152.26 78.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.711 0.767 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' VAL . 53.3 Cg_endo -69.86 122.31 8.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 34.6 m -35.66 -40.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.6 tp10 -47.65 -50.08 25.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -74.33 -40.91 61.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 33.6 mmm -55.97 168.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -128.76 115.44 17.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.5 m -87.02 125.7 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 25' ' ' GLN . 51.7 mt -77.36 127.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.71 23.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 23' ' ' ILE . 15.6 mm-40 -117.51 -46.94 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.1 p -130.72 32.53 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 26' ' ' CYS . 14.1 mm100 34.57 47.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -110.77 130.19 55.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' MET . 13.4 tt -102.49 143.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.5 m-85 -153.06 133.5 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.6 p -59.41 126.06 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 63.0 m -32.44 -50.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 40.1 m -62.69 -69.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.2 tt -35.73 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 39' ' ' VAL . 18.5 ttpt -72.6 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.52 -46.76 80.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 34.6 t80 -45.48 -67.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.003 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' A' ' 51' ' ' ILE . 22.9 m -52.77 -31.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.53 -63.08 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.11 -40.81 11.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.69 -59.79 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.405 HG13 HD11 ' A' ' 51' ' ' ILE . 56.9 mt -44.84 -47.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -47.13 -39.08 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.622 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.5 tp10 -62.15 -71.18 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.28 46.1 5.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.55 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.622 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -127.84 -29.15 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -88.96 -27.59 20.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m 54.23 29.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.73 142.64 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.728 ' CG2' HG12 ' A' ' 39' ' ' VAL . 17.0 mm -99.24 88.69 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -76.87 -174.61 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.03 135.08 82.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 1.9 4.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.375 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -99.57 137.86 37.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.56 -25.75 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.27 35.8 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.7 t -92.06 115.1 64.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.75 29.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -85.6 -38.18 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 59.09 50.2 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.15 -169.76 42.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -141.36 178.18 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.64 137.55 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -70.43 138.71 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -44.29 -53.1 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.54 -51.09 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.09 -58.68 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 12.8 mt -52.86 -57.06 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 4.0 tm-20 -34.76 -58.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.41 -45.41 69.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.44 ' SD ' HD22 ' A' ' 35' ' ' LEU . 23.4 ttm -47.44 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -94.83 139.72 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 167.58 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.05 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -38.37 -41.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.6 mm -79.66 -62.4 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.3 tpt -33.91 -43.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -48.44 -50.19 32.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ILE . 52.0 mtt-85 -49.95 -52.32 34.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -59.71 -56.16 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -49.41 -38.32 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -40.19 81.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.89 -45.86 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.59 -46.23 77.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -44.59 -55.4 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -103.91 80.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -172.96 150.78 2.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.04 -92.69 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -36.06 11.24 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.646 2.23 . . . . 0.0 112.309 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -51.41 157.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -56.61 144.78 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.465 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.816 ' OG ' HG21 ' A' ' 29' ' ' ILE . 4.6 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.91 165.01 2.1 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -128.53 143.2 50.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -104.05 6.86 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.28 -59.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -99.07 4.48 47.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? 49.57 40.83 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.66 151.18 16.99 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.02 136.88 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -152.6 149.64 22.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.68 68.9 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.19 -16.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.67 -42.39 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -103.7 40.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.2 mmm -135.26 163.56 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -138.24 116.08 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -89.02 114.47 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 28' ' ' CYS . 24.2 mt -69.34 124.11 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.63 24.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.795 ' NE2' HE21 ' A' ' 65' ' ' GLN . 5.7 mp0 -116.44 -43.1 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.6 p -134.38 33.16 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' CYS . 20.6 mm-40 36.16 44.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.659 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -108.22 120.13 41.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.816 HG21 ' OG ' ' A' ' 6' ' ' SER . 20.3 tt -101.52 143.37 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 52.7 m-85 -152.62 152.94 32.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -71.14 125.9 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 39.8 m -32.34 -58.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 36.7 mt -35.96 -69.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -48.92 -68.64 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -38.7 -40.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -63.58 -52.26 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.879 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 -64.6 -29.05 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -69.04 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG12 HG21 ' A' ' 51' ' ' ILE . 14.3 m -57.92 -35.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.17 -60.76 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -45.63 -41.36 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.83 -61.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 44' ' ' LYS . 39.3 mt -51.81 -55.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ILE . 22.8 mtpt -36.42 -44.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.838 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -52.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA2' HD21 ' A' ' 84' ' ' LEU . . . 96.49 39.29 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.838 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -122.08 -32.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -138.6 134.81 34.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 50' ' ' ALA . 9.8 t -90.02 -42.94 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 49' ' ' THR . . . -54.88 120.11 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 HG12 ' A' ' 39' ' ' VAL . 25.6 mm -95.81 83.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -59.1 176.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.62 135.92 85.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.84 3.72 2.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.17 119.57 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.44 -23.75 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.0 43.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -98.21 113.24 63.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.55 37.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.26 -20.34 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 45.53 52.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.48 170.32 42.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.428 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 1.8 t-80 -121.78 164.26 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.569 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.3 mm? -99.72 109.29 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.795 HE21 ' NE2' ' A' ' 25' ' ' GLN . 65.0 mt-30 -56.56 168.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -66.08 -51.02 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.469 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 5.7 p30 -43.18 -46.51 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 -56.61 20.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLU . 21.1 mt -55.13 -54.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' ILE . 43.5 tt0 -34.65 -54.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.3 m -74.28 -46.76 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.9 tpp -43.93 -54.24 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -102.08 171.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 159.29 15.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.65 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.35 -47.83 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.6 mm -72.11 -58.31 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.9 tpt -34.18 -53.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -39.45 -50.29 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -51.68 -46.04 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.0 t80 -70.9 -38.53 73.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.22 -46.14 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -69.14 -30.83 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.546 HD21 ' HA2' ' A' ' 46' ' ' GLY . 35.7 mt -65.66 -35.79 81.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.97 -54.71 43.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.64 148.28 19.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -106.07 165.74 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -106.26 -30.89 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.5 mt -82.84 -73.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.84 -13.11 60.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt 49.2 48.7 20.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.54 153.05 16.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -91.81 104.85 17.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.3 152.19 77.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.752 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 142.69 48.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.387 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 m -48.09 -20.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.08 -36.66 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -104.19 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.443 ' HB2' HD11 ' A' ' 29' ' ' ILE . 53.3 mmm -138.65 162.93 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -129.38 110.35 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -87.21 119.45 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 25' ' ' GLN . 35.2 mt -77.38 132.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.93 21.56 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.658 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.7 mm100 -111.44 -45.61 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.8 p -130.84 22.36 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 44.22 45.51 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.8 m -109.7 121.31 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 20' ' ' MET . 14.7 tt -96.11 146.3 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.0 m-85 -153.21 144.3 22.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -65.95 129.32 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' CYS . 28.3 m -32.7 -62.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.3 mt -34.43 -68.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.65 ' HB3' HD12 ' A' ' 10' ' ' LEU . 71.7 m -58.37 -70.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -37.38 -27.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' CYS . 24.6 ttpt -82.78 -59.98 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -55.41 -26.58 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.748 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 74.9 t80 -65.34 -70.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 72' ' ' MET . 3.7 m -54.26 -33.52 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -65.13 -62.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 37' ' ' GLN . 3.1 mp -51.43 -41.84 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mt -58.01 -40.07 79.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 80' ' ' ARG . 83.8 mt -73.3 -38.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.94 -39.6 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.01 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 112.04 -67.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . 16.5 tp -36.55 -69.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.87 145.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 p -123.52 -23.17 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.12 161.17 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.519 HG12 ' CE1' ' A' ' 81' ' ' TYR . 48.0 mm -111.99 81.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -68.6 -178.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.7 t -74.36 135.74 75.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 52.0 t0 -102.3 141.93 34.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -91.89 -33.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.78 41.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.6 t -91.95 107.87 25.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.376 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -107.02 -18.33 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 39.93 53.53 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' ND1' ' A' ' 63' ' ' HIS . . . -81.49 -168.05 39.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.416 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.44 ' ND1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -147.62 178.54 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.26 117.92 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.33 141.33 57.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' CE ' ' A' ' 78' ' ' MET . 4.9 tm-20 -46.9 -24.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -60.01 -42.69 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.28 -65.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 70' ' ' GLU . 16.8 mt -42.81 -44.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 69' ' ' ILE . 44.3 tt0 -36.46 -65.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 m -76.8 -38.69 53.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 39' ' ' VAL . 15.2 ttm -42.64 -49.28 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 m -113.94 166.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 76' ' ' GLU . . . -80.1 -178.18 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.7 -57.27 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.436 ' OE1' ' HB1' ' A' ' 74' ' ' ALA . 2.2 pm0 -43.55 -26.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.39 -53.2 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 69' ' ' ILE . 12.0 tpt -45.07 -44.47 10.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -47.7 -53.21 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 90.7 mtt-85 -46.35 -58.32 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 51' ' ' ILE . 34.6 t80 -50.93 -55.28 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -55.56 -36.84 67.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -39.23 93.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.29 -54.7 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.66 -51.37 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 70.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.53 120.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.568 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.56 166.39 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -111.13 -21.19 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 34' ' ' CYS . 76.8 mt -86.22 -56.85 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.86 -0.47 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp 44.9 43.72 7.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -107.76 141.09 15.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.65 113.1 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 9.2 m-85 -131.93 150.72 76.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.678 0.752 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 136.38 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' GLU . 35.6 m -39.46 -41.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 6.6 tp10 -45.36 -44.27 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -97.32 39.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.0 mmm -134.29 154.77 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 73.5 m -129.21 128.85 44.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.141 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -107.22 121.54 44.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 28' ' ' CYS . 17.0 mt -72.13 136.66 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.54 26.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' H ' HG22 ' A' ' 23' ' ' ILE . 11.3 mt-30 -120.37 -45.97 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.5 26.78 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 37.69 47.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.8 m -110.01 121.95 46.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 tt -100.68 140.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 87.4 m-85 -147.06 160.81 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.0 p -79.61 129.78 34.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 98.7 m -32.84 -63.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 39.6 mt -33.05 -67.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.557 ' HB3' HD12 ' A' ' 10' ' ' LEU . 73.6 m -50.68 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.0 mt -43.5 -27.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -75.16 -62.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.593 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -59.18 -25.56 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -69.8 -65.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.636 HG12 HG21 ' A' ' 51' ' ' ILE . 6.4 m -61.73 -21.38 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.8 -57.25 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.5 mm? -53.83 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 51' ' ' ILE . 19.1 mt -60.92 -56.32 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.431 HG13 HD11 ' A' ' 51' ' ' ILE . 81.1 mt -53.01 -56.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -45.94 -39.48 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.08 -73.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 120.88 -53.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.7 tt -38.62 -50.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.93 110.12 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.5 p -86.71 -49.12 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.62 113.19 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 HG12 ' A' ' 39' ' ' VAL . 56.4 mt -84.39 93.84 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -73.72 178.87 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.69 136.17 96.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.403 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -113.49 100.42 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.55 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.64 26.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.6 t -89.88 108.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -4.85 14.81 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -103.46 -26.21 12.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 49.01 54.25 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.71 145.77 25.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 14.7 t-80 -101.28 165.44 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.4 mm? -100.49 112.0 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.1 165.54 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.42 -63.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -43.72 -38.72 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -75.08 -49.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ILE . 19.0 tt0 -38.04 -67.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.86 -36.11 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.1 tpp -58.77 -70.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.99 173.61 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.97 167.62 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.38 -42.19 73.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pm0 -59.36 -23.06 62.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.5 mm -95.58 -59.73 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.5 tpt -34.97 -45.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -46.28 -50.41 16.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -54.55 -37.67 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -77.07 -25.76 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -66.01 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 10.3 pttp -72.46 -36.16 68.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.478 HD11 ' HA2' ' A' ' 46' ' ' GLY . 12.3 mt -58.43 -32.95 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -74.55 -43.66 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.21 149.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.0 t -110.92 164.25 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.396 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -101.54 -37.73 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -73.31 -72.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.95 -24.06 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt 57.93 47.99 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.96 -148.55 14.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -146.75 114.62 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.43 153.57 68.64 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.731 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.74 54.96 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 m -47.46 -19.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.63 -39.44 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -97.75 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.8 mmm -139.44 162.79 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 51.7 m -133.69 126.65 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -98.65 138.06 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 25' ' ' GLN . 22.7 mt -95.22 126.69 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 25.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -116.31 -44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.8 p -133.28 29.75 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 37.06 47.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -109.38 131.92 54.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 tt -109.85 143.64 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.3 m-85 -152.51 146.99 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -66.98 124.57 23.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 31.8 m -32.41 -48.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 22.8 mt -41.99 -68.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 92.7 m -51.32 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.42 HD22 ' HE3' ' A' ' 72' ' ' MET . 8.5 mt -38.22 -44.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 32.1 ttmt -57.52 -56.86 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.7 mp0 -63.24 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 85.9 t80 -66.86 -65.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 HG21 ' A' ' 51' ' ' ILE . 5.2 m -58.88 -25.5 29.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.95 -60.8 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -49.82 -43.69 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.66 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.86 -43.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -55.15 -40.37 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.84 -69.03 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.51 -34.06 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.98 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -92.03 124.53 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 t -90.82 -32.38 16.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.57 134.64 37.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 HG12 ' A' ' 39' ' ' VAL . 34.1 mm -96.86 81.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -61.49 176.63 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.22 134.84 95.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.7 Cg_endo -69.76 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -121.18 106.49 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.12 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.36 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.4 t -43.99 117.61 2.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -19.33 35.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -95.09 -36.27 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 55.3 47.25 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.53 172.37 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 20.3 t-80 -108.99 164.71 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 mm? -96.49 115.58 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -54.66 147.88 13.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -52.97 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.94 -45.74 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -55.45 -57.27 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 30.2 mt -58.04 -47.53 86.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.21 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 26.8 tt0 -34.61 -58.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 94.1 m -80.25 -46.41 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.42 ' HE3' HD22 ' A' ' 35' ' ' LEU . 17.5 tpp -39.14 -48.7 1.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.67 162.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.71 175.85 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.29 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.09 -38.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 29.2 mm -82.5 -61.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.1 tpt -35.06 -50.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -41.92 -51.09 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -55.04 -49.38 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -53.6 -51.58 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -53.33 -41.44 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -58.08 -45.44 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.5 -53.03 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -43.5 -49.99 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.3 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 151.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -106.48 167.41 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -109.4 -24.46 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -87.12 -54.07 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.2 -7.06 30.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 42.56 54.2 4.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -113.56 156.68 15.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -86.28 110.86 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.418 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 20.6 m-85 -142.01 150.43 56.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.45 37.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -45.56 -24.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.47 -44.06 96.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.68 37.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.3 mmm -137.34 156.21 48.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 96.4 m -130.69 129.17 42.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -99.92 129.35 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 28' ' ' CYS . 36.0 mt -78.39 132.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.45 25.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.655 ' H ' HG22 ' A' ' 23' ' ' ILE . 12.3 mm100 -118.7 -51.65 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.2 p -122.45 18.75 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 47.2 46.21 16.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' ILE . 58.6 m -108.69 120.28 42.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.72 141.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 72.1 m-85 -151.07 140.67 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -66.36 130.32 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' CYS . 95.7 m -32.67 -58.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 69.6 mt -36.12 -68.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.4 m -49.93 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.4 mt -38.57 -40.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 42.1 tttm -60.25 -62.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -56.65 -44.51 81.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 60.3 t80 -52.52 -72.18 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 51' ' ' ILE . 13.1 m -50.7 -44.54 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 39' ' ' VAL . 4.9 mt-10 -51.79 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.2 mp -48.61 -61.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -41.86 -36.88 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.62 -37.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' CE ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.36 -30.65 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -70.26 -62.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.76 -33.65 6.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.37 -68.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -87.09 109.02 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -74.68 -35.35 62.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.01 145.15 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.68 HG21 HG12 ' A' ' 39' ' ' VAL . 12.0 mm -105.1 79.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.2 p -61.37 -177.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 t -73.99 136.08 76.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.65 3.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -107.05 111.86 24.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.62 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.06 21.3 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.1 t -85.89 111.42 37.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -19.46 36.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -37.3 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.6 52.95 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 179.55 41.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 2.3 t-80 -134.51 164.11 28.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.2 mm? -100.38 113.68 26.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.84 -52.51 65.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -44.27 -43.46 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.23 -53.1 60.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 17.3 mt -61.55 -53.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -35.03 -49.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.9 m -77.92 -46.06 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 ttm -48.81 -61.05 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.12 157.67 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.93 -175.86 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -56.56 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -44.77 -24.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.8 mm -94.99 -59.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ILE . 15.7 tpt -34.05 -46.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -47.28 -51.41 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HD3' ' CE ' ' A' ' 44' ' ' LYS . 20.2 mtp85 -54.64 -27.81 42.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 9.3 t80 -87.81 -32.99 18.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -67.65 -58.15 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -41.55 -44.86 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.79 -38.34 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.29 -48.86 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.881 0.372 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.44 162.69 1.31 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.7 t -124.98 164.19 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.15 -32.23 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.84 -75.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.23 -14.98 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mt 47.55 47.82 17.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.34 -161.97 25.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.18 115.88 18.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -144.87 150.67 47.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.712 0.768 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.81 26.45 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.09 -33.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -48.83 -45.58 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.28 45.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.652 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.0 mmm -142.23 158.26 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -132.12 148.08 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -118.37 138.26 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG22 ' H ' ' A' ' 25' ' ' GLN . 4.8 mt -96.36 121.49 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.11 -14.75 61.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' H ' HG22 ' A' ' 23' ' ' ILE . 6.1 mm-40 -66.4 -54.47 23.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 p -127.39 26.95 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 41.27 42.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.7 m -102.45 129.81 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -100.86 130.5 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 43.1 m-85 -139.74 139.9 36.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -64.83 130.88 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' LEU . 84.9 m -33.72 -62.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.7 mp -33.55 -63.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.6 -61.37 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 39' ' ' VAL . 7.2 mt -46.17 -32.04 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 34.2 tttm -70.99 -68.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.25 -46.84 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 56.7 t80 -50.93 -71.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 51' ' ' ILE . 10.7 m -55.09 -33.31 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.72 -59.98 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.24 -49.76 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -48.05 -52.98 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.19 -44.74 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -57.25 -23.21 46.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.52 -70.27 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 118.48 -61.79 0.45 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLY . 17.7 tp -36.66 -53.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -73.51 133.36 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -99.99 -32.17 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.35 164.1 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.524 HG21 HG12 ' A' ' 39' ' ' VAL . 19.6 mm -113.08 86.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.8 t -65.44 170.27 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 t -56.17 134.31 75.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.727 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.73 3.01 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.03 118.11 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 6.26 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.24 23.41 11.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.02 120.37 61.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.85 36.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLN . 28.9 tttm -110.26 -13.01 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' LYS . 21.1 mt-30 35.95 52.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.97 128.2 19.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.2 m80 -75.81 -176.58 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 64' ' ' LEU . 3.3 mm? -101.85 138.61 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.37 144.47 56.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -56.44 -41.32 76.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -46.34 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.01 -57.22 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLU . 17.3 mt -52.43 -51.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ILE . 35.0 tp10 -35.54 -64.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.76 -37.02 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.9 tpp -47.75 -61.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.43 171.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.01 149.25 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -38.24 -48.35 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -46.61 -42.55 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' MET . 35.8 mm -85.03 -54.12 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ILE . 8.8 tpt -36.74 -50.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -44.16 -48.93 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.4 mtp180 -48.43 -48.08 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.21 -42.22 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -54.82 -49.94 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -61.81 -41.49 97.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 18.7 mt -53.96 -50.98 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -54.54 -51.78 64.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.97 157.78 14.75 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.86 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.6 t -112.0 166.46 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -99.05 -25.08 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 34' ' ' CYS . 30.3 mt -93.02 -74.77 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' LEU . 28.0 p -77.8 4.69 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 8' ' ' CYS . 4.5 mm? 33.1 45.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.502 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -101.86 144.76 16.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -85.45 101.61 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 8.0 m-85 -123.39 150.81 61.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.747 . . . . 0.0 110.954 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.69 -39.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -46.36 -43.09 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.5 40.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.3 mmm -136.85 157.12 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -127.58 125.12 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.4 m -101.55 133.01 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.31 131.56 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.68 25.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -115.26 -42.28 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.2 p -132.94 17.94 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 48.1 41.45 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -104.8 134.63 47.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.49 145.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 68.3 m-85 -152.31 156.15 39.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -77.19 126.13 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 19.8 m -32.37 -56.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -36.99 -62.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' HB3' HD12 ' A' ' 10' ' ' LEU . 99.5 m -57.68 -71.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.0 mt -37.61 -34.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -67.99 -52.34 36.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' HD23 ' A' ' 41' ' ' LEU . 36.9 mt-30 -69.38 -26.56 64.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 83.8 t80 -67.78 -62.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.703 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.7 m -63.49 -25.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.89 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -54.94 -40.52 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 25.6 mt -62.39 -53.86 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 39' ' ' VAL . 33.4 mt -59.13 -50.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -51.68 -36.93 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.64 -50.06 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.55 -45.3 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.5 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 42' ' ' LEU . 6.3 mp0 -56.21 116.29 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -95.18 -26.65 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.81 133.88 54.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.571 HG21 HG12 ' A' ' 39' ' ' VAL . 49.2 mm -90.06 83.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t -69.3 -179.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.3 135.36 91.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.85 -5.58 16.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.64 118.5 36.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -48.23 59.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.69 -35.78 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 13.5 t -41.27 106.59 0.44 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.2 Cg_endo -69.7 -12.89 33.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -92.73 -39.34 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.54 54.96 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 141.55 22.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -84.52 170.91 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.57 141.0 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -73.03 136.65 45.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.8 -40.47 13.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.43 -58.22 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.562 HD13 ' CE2' ' A' ' 81' ' ' TYR . 16.7 mt -52.18 -37.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.73 -59.4 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -66.09 -38.79 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 tpp -51.56 -65.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 69' ' ' ILE . 15.0 m -91.39 170.18 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 153.0 18.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.52 -50.42 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -44.73 -41.2 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -88.16 -58.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.7 tpt -35.39 -41.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -49.51 -48.71 47.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.6 mtp-105 -53.36 -55.95 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 69' ' ' ILE . 27.6 t80 -51.15 -55.84 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -54.3 -44.1 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -60.77 -51.41 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.3 mt -47.78 -47.44 30.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.86 -51.69 66.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.02 152.65 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.04 164.38 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -102.82 -14.44 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 3.88 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD22 ' H ' ' A' ' 12' ' ' LEU . 2.4 mm? 39.32 45.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 15' ' ' TYR . . . -102.32 136.61 12.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.13 102.86 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 10.7 m-85 -125.88 150.74 69.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 142.52 48.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -48.25 -21.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -66.9 -36.66 82.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -99.16 36.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.5 mmm -135.5 160.17 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 m -129.56 124.14 33.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 m -95.62 138.92 32.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 28' ' ' CYS . 7.8 mt -96.9 128.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.55 22.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -112.63 -47.31 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.02 22.06 4.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 9.9 mm-40 42.67 47.97 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.6 m -110.36 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 14.4 tt -99.62 142.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 42.5 m-85 -152.72 147.76 26.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.3 p -67.94 126.21 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 40.2 m -32.05 -52.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 58.6 mt -39.25 -68.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.7 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 mt -39.56 -37.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.5 ttmt -65.05 -69.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -51.11 -38.42 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.71 -72.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG12 HG21 ' A' ' 51' ' ' ILE . 6.6 m -54.12 -34.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -52.88 -52.6 56.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.05 -42.18 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mp -58.7 -52.13 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 77' ' ' ILE . 85.1 mt -59.34 -45.4 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -59.81 -37.34 78.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.96 -66.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.507 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 114.64 -50.57 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 tp -48.79 -50.49 33.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.02 77.82 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -55.51 -34.49 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.82 170.78 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.588 HG21 HG12 ' A' ' 39' ' ' VAL . 13.0 mm -120.91 86.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -65.05 174.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.22 136.57 91.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.695 0.759 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.81 4.87 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.609 2.206 . . . . 0.0 112.41 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -104.53 155.5 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -34.56 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 59' ' ' PRO . . . -98.18 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.81 105.19 17.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 53.7 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -106.07 -28.45 10.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 47.83 53.33 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.94 156.5 20.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -104.76 176.19 5.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.86 150.5 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.0 168.21 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.43 -45.56 53.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -58.58 -39.53 80.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.86 -57.33 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.71 -46.24 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -38.11 -62.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.9 t -74.94 -37.4 62.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -45.77 -59.12 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -102.66 170.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.54 172.38 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.79 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.29 -51.33 14.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 78' ' ' MET . 43.6 mm -71.54 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.8 tpt -36.45 -50.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -46.93 -47.77 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.4 mtp-105 -59.47 -48.2 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.72 -30.27 71.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 3.0 pttm -72.37 -29.2 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 46' ' ' GLY . 14.5 mt -66.75 -47.84 71.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.02 -45.57 73.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 29' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.3 132.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 t -87.51 165.91 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -102.49 -37.35 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' A' ' 34' ' ' CYS . 92.7 mt -72.12 -75.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.45 -24.7 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt 61.38 43.51 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.41 144.14 15.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.9 114.27 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -135.53 152.52 76.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.728 0.775 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HG2' ' OE1' ' A' ' 19' ' ' GLN . 54.0 Cg_endo -69.76 140.85 43.69 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.36 -25.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -57.47 -48.53 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 19' ' ' GLN . 12.6 mp0 -92.21 36.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -136.36 158.29 44.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.659 ' C ' HD12 ' A' ' 29' ' ' ILE . 54.3 m -132.03 128.68 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -97.59 135.47 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 25' ' ' GLN . 8.8 mt -93.79 144.93 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.32 6.1 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.9 mm-40 -96.35 -44.95 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 p -131.55 25.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 38.33 44.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -100.23 168.64 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 6' ' ' SER . 3.9 tp -140.31 146.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' N ' HG13 ' A' ' 29' ' ' ILE . 65.5 m-85 -153.38 156.21 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -77.42 124.94 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 62.3 m -32.19 -54.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' THR . 34.0 mt -36.9 -65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.72 ' HB3' HD12 ' A' ' 10' ' ' LEU . 84.0 m -56.77 -70.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.9 mt -36.29 -35.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.1 tttm -63.49 -67.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -58.81 -29.78 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.38 -72.29 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.713 HG12 HG21 ' A' ' 51' ' ' ILE . 6.3 m -56.53 -24.78 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -72.02 -54.92 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.54 -38.26 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.62 -54.13 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 39' ' ' VAL . 54.5 mt -58.25 -42.94 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -57.07 -27.87 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.888 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -69.71 -69.95 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.98 -31.61 6.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.888 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -52.81 -28.16 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -113.81 142.4 46.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -107.91 -26.75 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.73 124.25 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.713 HG21 HG12 ' A' ' 39' ' ' VAL . 26.1 mm -77.73 101.46 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -77.45 170.27 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.1 130.05 94.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.02 6.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 43.4 t0 -90.23 146.78 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -98.44 -34.66 10.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.85 30.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.7 t -92.52 106.95 20.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.02 37.1 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -92.82 -30.01 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 49.94 52.22 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.26 -177.68 51.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.8 -177.66 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -106.25 139.27 41.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 20.6 mm-40 -85.13 -178.88 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -75.81 -43.85 44.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 12.0 p30 -39.37 -44.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ILE . 43.5 mp0 -72.58 -71.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.547 HG22 ' SD ' ' A' ' 78' ' ' MET . 78.2 mt -35.12 -44.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -40.85 -66.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.03 -40.33 62.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.466 ' SD ' HG21 ' A' ' 39' ' ' VAL . 38.5 ttm -42.01 -50.6 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 m -113.46 169.77 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.99 159.17 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.0 -54.79 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -43.7 -46.19 7.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.44 HD13 ' HE ' ' A' ' 80' ' ' ARG . 31.7 mm -75.81 -56.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 69' ' ' ILE . 10.0 tpt -39.01 -49.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.56 -46.39 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HE ' HD13 ' A' ' 77' ' ' ILE . 56.8 mtt-85 -53.74 -51.98 61.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -54.13 -58.32 7.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -53.38 -35.3 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -66.08 -35.71 81.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.97 -54.1 46.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 86' ' ' PHE . 49.3 mm-40 -57.85 -61.61 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 4.7 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.918 0.389 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.4 156.25 30.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 12' ' ' LEU . 12.0 t -119.69 167.05 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -103.48 -39.62 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 34' ' ' CYS . 16.3 mt -74.7 -73.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -76.12 -19.72 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 8' ' ' CYS . 6.7 mt 55.01 46.97 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.0 169.66 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.3 121.11 39.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.39 151.54 47.68 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 132.65 23.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.1 m -44.33 -36.71 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.91 -54.54 23.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.58 -37.96 83.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.9 mmm -58.5 165.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 11.8 m -132.11 118.06 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -90.75 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.8 mt -91.72 130.73 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 27.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.604 ' H ' HG22 ' A' ' 23' ' ' ILE . 25.3 mm-40 -119.75 -48.98 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 p -128.78 26.7 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 39.97 47.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -110.0 128.71 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tt -100.47 144.24 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 76.6 m-85 -153.09 134.29 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -59.43 131.29 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 33.5 m -32.61 -63.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' THR . 29.7 mt -35.19 -69.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' HD12 ' A' ' 10' ' ' LEU . 93.6 m -51.98 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.689 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -34.53 -36.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpp -71.07 -56.37 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 mp0 -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 49.3 t80 -65.47 -62.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 HG21 ' A' ' 51' ' ' ILE . 14.1 m -60.61 -32.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.46 -60.74 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 2.6 mp -49.01 -48.05 43.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 51' ' ' ILE . 12.7 mt -53.21 -41.05 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.69 -46.28 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD2' ' NH1' ' A' ' 80' ' ' ARG . 1.3 mmmm -49.84 -45.55 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.18 -68.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 117.89 -55.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.5 tp -38.12 -59.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -83.29 111.48 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.7 m -84.9 -53.79 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.59 145.17 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.624 HG21 HG12 ' A' ' 39' ' ' VAL . 47.4 mt -116.61 85.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.1 t -70.82 -175.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.69 135.47 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.83 0.26 5.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.602 2.202 . . . . 0.0 112.393 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -109.23 112.14 24.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.23 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 25.48 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 t -98.89 114.7 65.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.02 15.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.393 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -100.56 -45.69 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 65.65 46.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.88 128.77 8.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.7 m80 -85.29 176.52 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.44 141.06 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.28 171.63 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' CE ' ' A' ' 78' ' ' MET . 8.7 tp10 -71.03 -52.9 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -49.24 -45.63 44.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.18 -54.62 43.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.12 -51.96 66.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -39.64 -58.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.57 -44.08 83.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.689 ' SD ' HD22 ' A' ' 35' ' ' LEU . 16.3 ttm -45.5 -57.86 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.61 170.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.97 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.68 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.04 -39.12 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.9 mm -81.85 -61.39 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.466 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 14.6 tpt -34.86 -55.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -38.51 -48.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.449 ' NH1' ' HD2' ' A' ' 44' ' ' LYS . 86.2 mtt180 -55.58 -45.13 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.47 -55.69 25.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -46.35 -51.57 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -56.59 -52.07 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 46' ' ' GLY . 21.5 mt -48.65 -50.15 34.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -46.39 -57.79 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.484 ' HB3' HG21 ' A' ' 29' ' ' ILE . 4.3 m . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 118.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 t -86.9 140.92 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -101.36 10.13 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 54' ' ' PRO . 83.7 mt -108.47 -45.78 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -114.14 -15.35 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt 64.94 51.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -124.69 123.18 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.6 119.89 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 20.2 m-85 -138.91 152.37 70.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.683 0.754 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.53 42.87 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -46.82 -20.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.41 -41.25 85.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.44 38.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.0 mmm -136.94 155.8 49.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 21.5 m -126.67 131.46 51.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.0 m -98.74 133.25 43.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.769 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.3 mt -86.28 128.99 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.12 23.46 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.769 ' H ' HG22 ' A' ' 23' ' ' ILE . 18.7 mt-30 -115.9 -45.26 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.8 p -134.03 32.86 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 36.7 43.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.8 m -105.01 125.43 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 6' ' ' SER . 8.7 tt -99.7 143.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 74.7 m-85 -153.26 150.08 28.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.4 p -69.34 127.33 32.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.2 m -32.58 -62.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' THR . 45.1 mt -35.57 -68.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 m -46.81 -66.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.63 HD13 ' HE1' ' A' ' 72' ' ' MET . 7.4 mt -41.06 -45.02 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -54.64 -60.69 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.47 -46.35 86.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.515 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 86.4 t80 -49.48 -60.18 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 HG21 ' A' ' 51' ' ' ILE . 8.2 m -67.03 -36.54 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.41 -65.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.57 -42.13 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 51' ' ' ILE . 19.0 mt -56.27 -46.84 79.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 81' ' ' TYR . 77.8 mt -70.0 -42.51 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.41 -36.61 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -58.3 -58.87 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.07 -41.02 2.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.85 -59.46 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.76 120.71 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -87.88 -30.87 19.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' O ' HD13 ' A' ' 51' ' ' ILE . . . -108.74 167.15 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 50' ' ' ALA . 28.0 mm -119.4 93.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -71.24 -178.97 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -72.2 134.78 82.59 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.687 0.756 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.1 Cg_endo -69.85 -4.0 13.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.604 2.203 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.84 105.69 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.77 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.92 38.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 t -89.85 121.79 68.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.25 32.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -109.74 -24.39 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 49.74 50.64 17.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.02 -171.98 45.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -131.91 -177.45 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.325 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.37 107.2 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.575 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.7 OUTLIER -64.52 139.73 58.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.36 -33.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.08 -42.12 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.11 -65.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLU . 22.4 mt -44.11 -48.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ILE . 22.0 tt0 -35.19 -66.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' MET . 17.0 t -72.04 -46.31 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.63 ' HE1' HD13 ' A' ' 35' ' ' LEU . 10.1 tpp -36.77 -50.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -108.75 166.14 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.19 170.31 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.32 -58.51 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -39.12 -44.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.4 mm -78.7 -63.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.3 tpt -34.05 -48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -39.3 -49.43 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.19 -58.6 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.614 ' HB2' HD13 ' A' ' 43' ' ' ILE . 30.9 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -56.65 -38.04 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -60.96 -41.32 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 ' HA2' ' A' ' 46' ' ' GLY . 70.0 mt -60.65 -57.56 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' PHE . 8.5 mm100 -59.87 -55.29 35.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLN . 47.8 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.87 0.367 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 151.94 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -116.22 168.25 10.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -104.28 -45.1 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.8 mt -67.31 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.49 -22.8 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 57.16 39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.8 174.6 20.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -97.86 125.07 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -147.64 152.07 40.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.26 27.45 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 18' ' ' GLU . 1.3 p -47.78 -39.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 7.1 pt-20 -51.93 -36.46 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -83.84 -38.28 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.7 mmm -62.32 153.64 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 38.2 m -126.08 130.16 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -102.14 121.56 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 25' ' ' GLN . 21.2 mt -74.58 130.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.7 23.86 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.3 mm100 -114.83 -47.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.4 p -128.94 26.34 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 39.2 49.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -111.78 121.36 44.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 tt -91.44 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 67.5 m-85 -153.27 144.38 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' THR . 18.6 p -71.38 129.17 38.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' CYS . 88.4 m -32.29 -46.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.35 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 10' ' ' LEU . 86.4 m -49.5 -60.92 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.9 mt -46.83 -39.12 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -63.88 -65.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -56.06 -28.23 56.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -67.72 -72.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.451 HG12 HG21 ' A' ' 51' ' ' ILE . 12.3 m -51.92 -17.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.175 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -83.77 -45.99 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.52 -32.41 74.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.79 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.1 -54.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.44 -46.02 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.43 -57.66 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 84' ' ' LEU . . . 98.28 -41.03 2.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.5 tt -46.24 -61.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.79 80.82 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 t -51.47 -38.91 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.76 142.5 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 39' ' ' VAL . 37.2 mm -107.04 88.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 10.4 t -70.74 -178.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.0 t -78.38 136.6 60.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.86 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -102.7 116.15 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.31 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 41.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 34.1 t -87.61 109.27 25.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.707 0.765 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.0 Cg_endo -69.75 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -104.8 -25.86 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 52.14 47.72 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.03 173.49 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 11.2 m80 -132.65 177.79 7.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.47 139.99 33.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.33 175.57 9.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.94 -63.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -40.75 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.08 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 15.3 mt -71.74 -53.24 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 42.2 tt0 -34.16 -62.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.86 -41.67 97.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpp -45.22 -52.08 9.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.3 m -108.45 178.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.03 -178.69 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.52 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.26 -45.03 65.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.0 mm -77.49 -58.23 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.2 tpt -34.29 -56.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 36.8 tt0 -35.93 -49.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -50.44 -53.82 26.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.76 -57.37 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.17 -44.02 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -54.04 -49.02 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' HA2' ' A' ' 46' ' ' GLY . 83.0 mt -57.65 -44.06 85.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.62 -45.06 85.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.843 0.354 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.62 138.13 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -97.16 166.53 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -104.64 -15.47 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 54' ' ' PRO . 6.3 mt -100.61 -61.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.2 p -91.54 4.5 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' H ' ' A' ' 12' ' ' LEU . 1.9 mm? 36.07 47.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -105.78 151.04 17.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -94.53 95.93 9.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CE1' ' HA3' ' A' ' 13' ' ' GLY . 8.9 m-85 -115.04 150.15 43.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.656 0.741 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.73 40.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -46.56 -25.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.06 -41.27 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -106.51 44.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.716 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.4 mmm -136.89 155.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.6 m -132.75 141.91 48.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -115.38 132.8 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.1 mt -87.51 126.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.22 0.32 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.017 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.618 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.3 mm-40 -85.79 -60.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.61 25.76 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 41.86 36.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -98.58 132.75 43.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -107.82 137.09 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 29' ' ' ILE . 89.5 m-85 -145.15 151.24 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -72.75 127.64 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.7 m -32.41 -49.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -41.39 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -53.82 -55.43 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.424 HD22 ' HE1' ' A' ' 72' ' ' MET . 4.7 mt -49.41 -31.6 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -74.33 -68.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -51.93 -30.12 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -62.7 -71.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.827 HG12 HG21 ' A' ' 51' ' ' ILE . 4.5 m -58.91 -24.82 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.89 -61.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.93 -47.19 71.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.38 -56.67 13.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.38 -43.42 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -55.34 -42.58 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.45 -64.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.451 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 111.1 -40.74 2.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.52 -60.07 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.89 86.47 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -69.26 -45.82 68.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.17 23.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.827 HG21 HG12 ' A' ' 39' ' ' VAL . 64.9 mt -92.73 88.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -71.88 -176.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.2 t -61.68 135.21 94.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' O ' HD21 ' A' ' 10' ' ' LEU . 53.4 Cg_endo -69.8 2.11 3.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.5 130.72 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.24 -3.99 58.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.29 18.07 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.47 115.05 62.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -24.18 29.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -44.84 14.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 67.45 46.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.85 146.42 50.29 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 7.8 t-80 -99.19 165.07 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mm? -100.92 106.87 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -50.66 166.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.4 tt0 -61.42 -62.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 t30 -34.99 -49.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.67 -54.4 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 51' ' ' ILE . 22.3 mt -63.08 -47.02 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -37.96 -56.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.62 -33.45 58.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 35' ' ' LEU . 31.4 ttm -54.85 -65.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 m -92.5 158.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 157.66 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.01 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.54 -45.85 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -77.66 -55.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' GLN . 10.1 tpt -37.13 -55.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' MET . 24.7 tt0 -34.81 -51.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -52.15 -48.42 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' MET . 90.7 t80 -65.4 -40.08 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.25 -47.95 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 31.5 pttt -69.42 -33.08 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD11 ' HA2' ' A' ' 46' ' ' GLY . 13.7 mt -62.69 -36.46 83.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.82 -43.49 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.44 ' OG ' HG12 ' A' ' 17' ' ' VAL . 18.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.885 0.374 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 125.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.9 166.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -105.48 -36.12 7.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.24 -65.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.47 -20.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt 53.77 48.63 20.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.4 142.94 17.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.67 116.68 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.96 151.73 56.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 135.58 30.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' OG ' ' A' ' 6' ' ' SER . 27.1 m -43.17 -24.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.16 -42.19 90.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -96.65 41.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' ILE . 50.1 mmm -139.59 160.87 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.1 m -130.84 132.21 45.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 m -106.39 132.91 51.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' ' 28' ' ' CYS . 21.6 mt -83.09 142.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.68 31.14 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -126.7 -43.53 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' GLN . 13.5 p -131.45 28.69 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 45.4 mm-40 35.56 47.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -108.09 127.39 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 20' ' ' MET . 6.3 tt -101.71 145.26 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 83.7 m-85 -153.36 148.99 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' THR . 19.8 p -70.72 130.27 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' CYS . 25.9 m -35.61 -49.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 85.0 mt -45.03 -69.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.8 m -49.44 -58.11 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.8 mt -49.12 -37.23 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 43.3 tttt -65.44 -68.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.504 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.5 mp0 -50.73 -42.18 57.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 66.4 t80 -55.74 -72.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.987 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG12 HG21 ' A' ' 51' ' ' ILE . 13.9 m -50.46 -40.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 39' ' ' VAL . 12.3 mt-10 -51.28 -58.98 4.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -52.09 -47.13 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.86 HD22 HG23 ' A' ' 51' ' ' ILE . 7.1 mp -54.17 -54.75 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.83 -48.11 62.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -54.42 -46.43 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.31 -58.02 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.87 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.36 -59.32 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.99 84.47 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -62.42 -36.03 81.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.95 125.82 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 42' ' ' LEU . 55.9 mt -97.77 114.7 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -94.86 174.36 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -60.14 134.89 90.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 0.7 5.35 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.32 110.37 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.24 70.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.72 32.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 t -101.16 114.74 65.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.5 Cg_endo -69.77 -1.29 8.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.5 tppp? -122.76 -19.08 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 60' ' ' LYS . 1.9 pt20 32.08 45.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 125.55 33.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -68.73 169.46 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.67 146.94 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' CD ' ' A' ' 65' ' ' GLN . 2.2 mp0 -82.66 155.09 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.17 -40.79 86.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -56.45 -42.93 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.05 -59.61 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.675 ' CD1' HD12 ' A' ' 51' ' ' ILE . 68.7 mt -50.24 -40.71 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.68 -46.65 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 48.7 t -76.48 -48.71 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -56.73 3.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.58 151.05 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.64 172.32 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.77 -55.36 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -40.02 -40.49 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' MET . 46.5 mm -84.78 -61.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ILE . 14.2 tpt -33.11 -48.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -47.71 -48.76 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ILE . 69.8 mtt180 -53.28 -25.86 16.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -88.72 -40.07 13.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -60.08 -51.45 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 34.6 pttt -58.33 -41.91 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 15.1 mt -46.86 -50.52 18.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.69 -55.27 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 5.6 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.361 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.2 83.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.55 154.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -96.69 -28.97 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 34' ' ' CYS . 88.3 mt -76.62 -70.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.648 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 p -91.94 -26.4 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD12 ' C ' ' A' ' 11' ' ' CYS . 1.2 mp 56.63 54.55 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -80.92 -9.02 86.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 66.94 53.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 34.5 m-85 -90.9 152.77 44.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.647 0.736 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 143.78 51.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -40.74 -37.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -49.77 -43.67 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.27 47.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.4 mmm -147.13 162.24 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.421 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.3 m -131.46 129.57 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -100.23 125.79 46.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.766 HD12 ' HB2' ' A' ' 28' ' ' CYS . 29.3 mt -78.43 128.19 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.69 21.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.0 mm-40 -115.79 -45.95 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' GLN . 11.8 p -131.55 31.71 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' CYS . 77.3 mm-40 34.4 42.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.766 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.0 m -103.41 122.53 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 tp -93.35 144.74 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 43.0 m-85 -153.24 140.89 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.0 p -67.82 131.75 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 97.4 m -32.45 -65.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' THR . 12.7 mt -35.85 -67.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.678 ' HB3' HD12 ' A' ' 10' ' ' LEU . 19.0 m -45.61 -59.04 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' CE ' ' A' ' 72' ' ' MET . 8.0 mt -51.04 -34.8 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.93 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -32.27 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.84 -72.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 51' ' ' ILE . 12.2 m -51.34 -35.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.229 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.59 -65.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.38 -43.19 23.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 51' ' ' ILE . 12.6 mt -58.24 -59.95 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 61.8 mt -52.18 -56.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.2 mptm? -37.72 -43.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.18 -68.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.61 -37.97 3.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.29 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.72 134.67 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' ' 85' ' ' GLN . 12.2 m -94.34 -29.1 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.63 161.22 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 39' ' ' VAL . 39.5 mm -109.22 110.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.6 p -84.47 -177.59 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.93 135.73 85.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.489 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 3.15 2.95 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 62.7 t0 -102.8 143.2 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -93.01 -35.27 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.81 33.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.2 t -102.95 100.03 15.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.99 35.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -42.15 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 66.93 47.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.9 120.51 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -84.97 162.19 19.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.97 117.74 31.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.12 -175.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 20.0 tt0 -74.92 -49.72 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 11.8 t30 -36.62 -65.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' ILE . 13.7 mp0 -48.83 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.559 HG22 ' SD ' ' A' ' 78' ' ' MET . 85.2 mt -37.8 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' ILE . 38.1 tt0 -35.51 -44.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.64 -48.75 20.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.57 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -45.4 -58.61 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.45 150.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -174.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.98 58.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -43.24 -32.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 78' ' ' MET . 23.1 mm -91.01 -59.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.559 ' SD ' HG22 ' A' ' 69' ' ' ILE . 11.3 tpt -34.18 -44.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -46.52 -50.05 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -48.43 -49.46 35.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -59.01 -55.41 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -53.83 -41.45 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -59.34 -38.53 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.26 -57.41 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.556 ' HG2' HG22 ' A' ' 49' ' ' THR . 33.3 mt-30 -58.63 -56.2 25.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 85' ' ' GLN . 15.0 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.14 122.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 21.8 t -82.23 118.07 22.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -63.06 -5.64 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 34' ' ' CYS . 26.3 mt -101.62 -64.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' LEU . 27.6 p -95.96 19.48 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.7 tp 32.85 48.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.613 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -115.03 135.99 12.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.31 105.99 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 23.3 m-85 -128.78 152.64 79.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.683 0.754 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.43 53.91 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 m -51.1 -20.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.02 -37.65 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -104.97 34.91 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.4 mmm -135.28 153.36 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -131.92 129.52 40.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -103.97 125.27 50.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -80.88 136.76 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 28.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.055 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -115.45 -43.87 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -131.32 16.59 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 50.67 43.94 27.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.2 m -105.92 139.35 40.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 tt -113.5 143.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 66.2 m-85 -153.16 154.61 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 p -78.7 132.62 37.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 86.8 m -32.46 -65.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD22 ' H ' ' A' ' 33' ' ' LEU . 4.0 mm? -33.96 -58.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB3' HD13 ' A' ' 10' ' ' LEU . 3.6 m -57.59 -67.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 4.1 mt -47.77 -23.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -76.36 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -57.36 -38.35 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 92.2 t80 -55.21 -67.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 51' ' ' ILE . 5.7 m -60.97 -36.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.94 -65.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -49.18 -48.8 44.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 51' ' ' ILE . 37.3 mt -51.83 -43.14 63.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.93 -40.56 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -61.63 -35.72 78.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.14 -58.61 7.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.68 30.94 9.86 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -110.26 -75.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -87.18 100.8 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -55.53 -61.95 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.78 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 69' ' ' ILE . 65.6 mt -104.17 112.32 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 p -88.43 -178.06 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.39 135.62 96.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.5 Cg_endo -69.81 0.98 4.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.61 116.39 32.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.29 -11.67 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.63 24.63 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.75 108.51 40.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -100.37 -30.09 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 53.49 48.89 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.83 125.65 30.86 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -80.21 167.98 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.57 121.79 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -69.84 151.7 45.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 38.5 tt0 -51.1 -52.51 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 p30 -36.71 -48.62 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.41 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 HD12 ' A' ' 51' ' ' ILE . 52.7 mt -48.15 -45.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ILE . 7.9 tm-20 -35.17 -66.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.21 -42.51 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.0 tpp -38.39 -48.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.68 173.56 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.99 178.2 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.85 -41.11 10.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.8 mm -80.8 -63.44 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.1 tpt -34.38 -46.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -46.3 -50.82 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -51.43 -51.92 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.35 -56.4 11.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.15 -44.48 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -56.07 -44.8 79.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.65 -40.51 75.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -64.68 -53.17 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.954 0.407 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.01 105.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -67.08 168.17 10.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -106.1 -41.15 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 34' ' ' CYS . 34.9 mt -70.36 -67.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -79.94 -24.38 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.74 50.13 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.93 141.84 17.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.86 113.15 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -141.05 152.63 65.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.81 68.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.56 -21.06 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.44 40.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.0 mmm -138.33 158.99 43.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -133.27 127.94 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -107.55 137.61 45.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.8 mt -85.66 148.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.58 8.26 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -99.01 -63.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -104.88 -5.26 21.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER 66.02 49.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.6 m -110.23 129.55 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.2 tt -96.68 141.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 62.2 m-85 -152.79 146.15 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.9 p -71.54 125.95 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 31' ' ' CYS . 22.3 m -32.0 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -44.34 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.622 ' HB3' HD12 ' A' ' 10' ' ' LEU . 88.3 m -51.2 -67.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 10.0 mt -39.25 -41.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.38 -54.87 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.6 mp0 -65.03 -28.57 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -69.22 -59.1 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.633 ' O ' HD12 ' A' ' 43' ' ' ILE . 14.5 m -64.44 -24.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.63 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.9 mm? -50.76 -39.61 52.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' OE1' ' A' ' 48' ' ' GLU . 13.0 mt -66.83 -57.21 7.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 39' ' ' VAL . 36.6 mt -55.99 -56.65 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -40.25 -41.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -52.99 -59.83 4.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.18 -49.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' OE1' HD22 ' A' ' 42' ' ' LEU . 6.4 tt0 -78.47 145.78 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -108.72 -42.34 4.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.88 153.34 22.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 39' ' ' VAL . 25.4 mm -115.48 86.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.8 m -62.11 179.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.73 135.47 83.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -73.5 153.19 40.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.37 -24.05 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.58 49.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -103.63 101.91 27.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.1 32.24 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.739 2.292 . . . . 0.0 112.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 25' ' ' GLN . 5.5 tmtt? -92.21 -37.24 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 59.99 53.41 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.9 134.67 13.32 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -87.81 169.82 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.57 125.97 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.75 158.11 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.93 -58.32 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -38.67 -46.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.84 -61.08 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLU . 53.2 mt -53.84 -53.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' ILE . 34.9 tt0 -37.28 -64.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.19 -46.67 76.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HG11 ' A' ' 39' ' ' VAL . 33.5 ttm -41.08 -51.72 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.58 179.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -100.31 152.89 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -36.48 -55.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -42.08 -50.48 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.4 mm -73.84 -58.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.2 tpt -35.34 -57.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 25.6 tt0 -36.72 -53.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.75 -47.18 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -54.96 -52.48 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -59.03 -47.27 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -47.61 -47.05 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.498 HD11 ' HA2' ' A' ' 46' ' ' GLY . 96.0 mt -59.37 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.99 -49.45 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.76 104.92 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 t -62.43 165.8 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -108.63 -20.06 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.2 mt -88.4 -59.23 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 13' ' ' GLY . 24.6 p -103.32 15.19 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.6 tp 34.31 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -91.56 142.74 16.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 112.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 18.0 m-85 -133.78 151.82 77.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.74 0.781 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.84 121.42 8.09 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.595 2.197 . . . . 0.0 112.366 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -35.09 -31.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' PRO . 54.0 mm-40 -51.58 -54.92 22.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.39 -39.52 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.7 mmm -54.08 166.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 99.8 m -133.19 105.46 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -80.54 121.39 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 ' HB2' ' A' ' 28' ' ' CYS . 11.2 mt -77.9 135.41 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.02 25.29 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.594 ' H ' HG22 ' A' ' 23' ' ' ILE . 42.4 mm-40 -118.25 -47.06 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 20.4 p -128.88 27.38 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 36.54 49.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.641 ' HB2' HD12 ' A' ' 23' ' ' ILE . 60.8 m -111.93 122.85 48.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 15.7 tt -93.52 141.29 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 55.9 m-85 -152.99 138.77 17.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -66.44 132.2 47.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 97.7 m -35.47 -65.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 3.9 mm? -32.27 -67.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.713 ' HB3' HD12 ' A' ' 10' ' ' LEU . 51.4 m -48.35 -66.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.5 mt -40.19 -43.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.05 -63.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.02 -38.55 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -58.26 -71.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 HG21 ' A' ' 51' ' ' ILE . 10.5 m -51.69 -24.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.94 -57.34 4.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.97 -37.13 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.28 -54.91 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 39' ' ' VAL . 22.9 mt -50.67 -54.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -44.81 -41.47 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.36 -58.8 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.455 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 86.81 37.02 8.78 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.2 tp -104.33 -63.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -95.43 93.01 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 p -41.13 -35.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.33 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.863 HG21 HG12 ' A' ' 39' ' ' VAL . 14.0 mm -87.88 97.81 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -65.57 175.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.51 135.79 94.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.2 Cg_endo -69.73 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -95.45 161.75 13.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.61 -21.27 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.42 43.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.81 102.12 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -94.05 -35.88 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 60.24 48.77 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.49 136.33 18.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.65 168.01 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.33 123.22 45.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' ILE . 71.6 mt-30 -73.58 143.12 46.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -44.9 -38.97 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -40.92 -34.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -84.38 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.7 mp -37.41 -45.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' ILE . 12.8 tm-20 -37.14 -67.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 85.6 m -76.25 -42.27 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 ttm -40.39 -52.63 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 69' ' ' ILE . 14.9 m -104.26 150.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.68 -176.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLN . . . -74.09 -57.3 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 79' ' ' GLN . 2.6 pt-20 -47.17 -21.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.4 mm -92.46 -48.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 tpt -54.16 -37.74 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -45.76 -46.98 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -58.99 -53.6 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.626 ' CD2' ' NE2' ' A' ' 85' ' ' GLN . 30.3 t80 -51.56 -60.65 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -41.94 -39.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -70.83 -45.7 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 11.9 mt -52.83 -54.8 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.626 ' NE2' ' CD2' ' A' ' 81' ' ' TYR . 13.6 mt-30 -55.24 -45.65 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.4 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.58 156.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.72 166.6 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -104.65 -32.02 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 34' ' ' CYS . 23.5 mt -78.52 -70.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -78.27 -23.24 47.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt 59.87 50.74 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.7 -175.44 21.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' C ' ' CG ' ' A' ' 15' ' ' TYR . 4.9 tt0 -109.52 128.3 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CG ' ' C ' ' A' ' 14' ' ' GLU . 8.0 m-85 -156.9 151.12 19.86 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.71 61.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.9 -14.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.18 -47.0 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.59 -39.48 64.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.444 ' HB3' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mmm -56.98 164.83 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -130.81 122.58 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -91.83 122.12 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 28' ' ' CYS . 43.8 mt -77.79 135.75 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.09 21.73 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' ILE . 7.5 mm-40 -117.85 -43.5 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 28' ' ' CYS . 19.5 p -131.17 25.0 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 37.28 51.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.71 ' HB2' HD12 ' A' ' 23' ' ' ILE . 54.4 m -109.31 147.97 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 20' ' ' MET . 13.1 tt -118.18 139.14 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.6 m-85 -151.87 144.16 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -65.36 128.49 36.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' LEU . 99.0 m -32.83 -60.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 33.1 mt -34.02 -67.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' HD12 ' A' ' 10' ' ' LEU . 94.4 m -50.78 -72.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 mt -37.47 -35.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.56 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.632 ' O ' HD23 ' A' ' 41' ' ' LEU . 27.7 mt-30 -56.34 -33.32 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.64 -71.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.478 HG12 HG21 ' A' ' 51' ' ' ILE . 5.8 m -56.36 -39.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 39' ' ' VAL . 17.8 mt-10 -52.18 -58.78 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.3 mm? -53.12 -38.35 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.538 HD12 HG23 ' A' ' 51' ' ' ILE . 80.7 mt -63.79 -68.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 69' ' ' ILE . 84.7 mt -51.96 -20.14 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -89.52 -28.45 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.85 -59.89 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.0 -32.5 7.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.95 -68.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -81.04 105.14 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 84' ' ' LEU . 77.9 m -73.11 -38.83 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.13 141.03 36.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 42' ' ' LEU . 20.4 mm -101.3 82.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -64.63 179.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.6 136.78 80.58 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.389 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -108.93 115.59 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.95 -9.17 57.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.34 28.54 7.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 18.1 t -91.95 107.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.7 Cg_endo -69.76 -14.17 35.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -92.55 -29.54 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 56.15 45.67 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.58 140.42 17.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -94.86 179.7 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.2 152.87 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -88.07 165.98 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.22 -63.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -45.65 -42.23 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.45 -40.67 92.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 43' ' ' ILE . 18.8 mt -73.21 -54.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 10.5 tt0 -34.14 -61.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.07 -38.75 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.1 ttm -55.34 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.3 m -86.95 173.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.39 175.86 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.34 91.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.75 -43.42 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' MET . 40.9 mm -81.15 -57.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.5 tpt -36.06 -45.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -52.04 -50.91 60.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -54.53 -25.33 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -80.27 -44.13 20.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -54.55 -54.46 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.91 -35.93 81.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.5 mt -60.11 -39.31 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -66.04 -28.46 68.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.842 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.56 133.13 2.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.42 166.78 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -103.99 -36.97 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 20.8 mt -78.19 -73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -72.55 -15.83 61.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 mt 53.0 45.0 29.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.86 -161.17 25.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -137.22 107.96 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.68 152.26 78.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.711 0.767 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' VAL . 53.3 Cg_endo -69.86 122.31 8.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 34.6 m -35.66 -40.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.6 tp10 -47.65 -50.08 25.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -74.33 -40.91 61.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 33.6 mmm -55.97 168.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -128.76 115.44 17.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.5 m -87.02 125.7 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 25' ' ' GLN . 51.7 mt -77.36 127.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.71 23.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 23' ' ' ILE . 15.6 mm-40 -117.51 -46.94 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.1 p -130.72 32.53 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 mm-40 34.57 47.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -110.77 130.19 55.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' MET . 13.4 tt -102.49 143.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.5 m-85 -153.06 133.5 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.6 p -59.41 126.06 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 63.0 m -32.44 -50.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 40.1 m -62.69 -69.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.2 tt -35.73 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 39' ' ' VAL . 18.5 ttpt -72.6 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.52 -46.76 80.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 34.6 t80 -45.48 -67.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.003 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' A' ' 51' ' ' ILE . 22.9 m -52.77 -31.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.53 -63.08 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.11 -40.81 11.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.69 -59.79 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.405 HG13 HD11 ' A' ' 51' ' ' ILE . 56.9 mt -44.84 -47.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -47.13 -39.08 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.622 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.5 tp10 -62.15 -71.18 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.28 46.1 5.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.55 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.622 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -127.84 -29.15 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -88.96 -27.59 20.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m 54.23 29.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.73 142.64 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.728 ' CG2' HG12 ' A' ' 39' ' ' VAL . 17.0 mm -99.24 88.69 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -76.87 -174.61 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.03 135.08 82.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 1.9 4.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.375 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -99.57 137.86 37.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.56 -25.75 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.27 35.8 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.7 t -92.06 115.1 64.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.75 29.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -85.6 -38.18 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 59.09 50.2 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.15 -169.76 42.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -141.36 178.18 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.64 137.55 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -70.43 138.71 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -44.29 -53.1 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.54 -51.09 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.09 -58.68 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 12.8 mt -52.86 -57.06 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 4.0 tm-20 -34.76 -58.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.41 -45.41 69.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.44 ' SD ' HD22 ' A' ' 35' ' ' LEU . 23.4 ttm -47.44 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -94.83 139.72 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 167.58 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.05 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -38.37 -41.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.6 mm -79.66 -62.4 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.3 tpt -33.91 -43.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -48.44 -50.19 32.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ILE . 52.0 mtt-85 -49.95 -52.32 34.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -59.71 -56.16 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -49.41 -38.32 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -40.19 81.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.89 -45.86 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -78.84 130.4 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -161.34 167.44 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 123.49 -60.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -81.23 132.67 35.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.816 ' OG ' HG21 ' A' ' 29' ' ' ILE . 4.6 t -105.16 -14.16 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.91 165.01 2.1 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -128.53 143.2 50.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -104.05 6.86 36.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.28 -59.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -99.07 4.48 47.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? 49.57 40.83 20.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.66 151.18 16.99 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.02 136.88 32.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -152.6 149.64 22.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.68 68.9 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 4' ' ' GLY . 27.3 m -53.19 -16.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.67 -42.39 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -103.7 40.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.2 mmm -135.26 163.56 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.6 m -138.24 116.08 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -89.02 114.47 25.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 28' ' ' CYS . 24.2 mt -69.34 124.11 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.63 24.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.795 ' NE2' HE21 ' A' ' 65' ' ' GLN . 5.7 mp0 -116.44 -43.1 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.6 p -134.38 33.16 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' CYS . 20.6 mm-40 36.16 44.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.659 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -108.22 120.13 41.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.816 HG21 ' OG ' ' A' ' 6' ' ' SER . 20.3 tt -101.52 143.37 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 52.7 m-85 -152.62 152.94 32.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -71.14 125.9 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' CYS . 39.8 m -32.34 -58.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 36.7 mt -35.96 -69.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -48.92 -68.64 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -38.7 -40.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -63.58 -52.26 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.879 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 -64.6 -29.05 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -69.04 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG12 HG21 ' A' ' 51' ' ' ILE . 14.3 m -57.92 -35.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.17 -60.76 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -45.63 -41.36 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -64.83 -61.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 44' ' ' LYS . 39.3 mt -51.81 -55.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ILE . 22.8 mtpt -36.42 -44.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.838 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -52.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA2' HD21 ' A' ' 84' ' ' LEU . . . 96.49 39.29 4.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.838 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -122.08 -32.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -138.6 134.81 34.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 50' ' ' ALA . 9.8 t -90.02 -42.94 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 49' ' ' THR . . . -54.88 120.11 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 HG12 ' A' ' 39' ' ' VAL . 25.6 mm -95.81 83.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 t -59.1 176.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.62 135.92 85.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.84 3.72 2.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.17 119.57 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.44 -23.75 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.0 43.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -98.21 113.24 63.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.55 37.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.26 -20.34 14.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 45.53 52.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.48 170.32 42.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.428 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 1.8 t-80 -121.78 164.26 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.569 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.3 mm? -99.72 109.29 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.795 HE21 ' NE2' ' A' ' 25' ' ' GLN . 65.0 mt-30 -56.56 168.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -66.08 -51.02 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.469 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 5.7 p30 -43.18 -46.51 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.91 -56.61 20.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLU . 21.1 mt -55.13 -54.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' ILE . 43.5 tt0 -34.65 -54.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.3 m -74.28 -46.76 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.9 tpp -43.93 -54.24 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -102.08 171.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 159.29 15.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.65 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.35 -47.83 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.6 mm -72.11 -58.31 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.9 tpt -34.18 -53.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -39.45 -50.29 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -51.68 -46.04 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.0 t80 -70.9 -38.53 73.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.22 -46.14 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -69.14 -30.83 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.546 HD21 ' HA2' ' A' ' 46' ' ' GLY . 35.7 mt -65.66 -35.79 81.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.97 -54.71 43.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.67 -52.83 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -39.18 -42.93 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -108.18 81.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.1 p -141.72 130.7 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.56 69.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -4.8 14.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -125.61 -46.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 m -86.03 127.18 34.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m 49.09 49.24 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -52.14 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.45 -65.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -84.74 110.04 18.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -66.45 -175.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.64 148.28 19.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -106.07 165.74 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -106.26 -30.89 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.5 mt -82.84 -73.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.84 -13.11 60.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt 49.2 48.7 20.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.54 153.05 16.9 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -91.81 104.85 17.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.3 152.19 77.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.678 0.752 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 142.69 48.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.387 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 m -48.09 -20.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.08 -36.66 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -104.19 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.443 ' HB2' HD11 ' A' ' 29' ' ' ILE . 53.3 mmm -138.65 162.93 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -129.38 110.35 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -87.21 119.45 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 25' ' ' GLN . 35.2 mt -77.38 132.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.93 21.56 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.658 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.7 mm100 -111.44 -45.61 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.8 p -130.84 22.36 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 44.22 45.51 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.8 m -109.7 121.31 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 20' ' ' MET . 14.7 tt -96.11 146.3 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.0 m-85 -153.21 144.3 22.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -65.95 129.32 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' CYS . 28.3 m -32.7 -62.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.3 mt -34.43 -68.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.65 ' HB3' HD12 ' A' ' 10' ' ' LEU . 71.7 m -58.37 -70.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -37.38 -27.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' CYS . 24.6 ttpt -82.78 -59.98 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -55.41 -26.58 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.748 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 74.9 t80 -65.34 -70.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 72' ' ' MET . 3.7 m -54.26 -33.52 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -65.13 -62.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 37' ' ' GLN . 3.1 mp -51.43 -41.84 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mt -58.01 -40.07 79.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 80' ' ' ARG . 83.8 mt -73.3 -38.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.94 -39.6 92.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.01 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 112.04 -67.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . 16.5 tp -36.55 -69.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.957 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.87 145.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 p -123.52 -23.17 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.12 161.17 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.519 HG12 ' CE1' ' A' ' 81' ' ' TYR . 48.0 mm -111.99 81.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -68.6 -178.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.7 t -74.36 135.74 75.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.683 0.754 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.08 2.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 52.0 t0 -102.3 141.93 34.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -91.89 -33.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.78 41.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.6 t -91.95 107.87 25.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.376 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -107.02 -18.33 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 39.93 53.53 2.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' ND1' ' A' ' 63' ' ' HIS . . . -81.49 -168.05 39.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.416 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' ND1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -147.62 178.54 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.26 117.92 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.33 141.33 57.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' HG2' ' CE ' ' A' ' 78' ' ' MET . 4.9 tm-20 -46.9 -24.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -60.01 -42.69 94.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.28 -65.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 70' ' ' GLU . 16.8 mt -42.81 -44.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 69' ' ' ILE . 44.3 tt0 -36.46 -65.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 m -76.8 -38.69 53.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 39' ' ' VAL . 15.2 ttm -42.64 -49.28 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 m -113.94 166.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 76' ' ' GLU . . . -80.1 -178.18 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.7 -57.27 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' OE1' ' HB1' ' A' ' 74' ' ' ALA . 2.2 pm0 -43.55 -26.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.39 -53.2 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 69' ' ' ILE . 12.0 tpt -45.07 -44.47 10.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -47.7 -53.21 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.489 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 90.7 mtt-85 -46.35 -58.32 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 51' ' ' ILE . 34.6 t80 -50.93 -55.28 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -55.56 -36.84 67.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -39.23 93.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.1 mt -69.29 -54.7 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.66 -51.37 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 70.5 t80 -41.99 -54.42 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 34.8 mt-10 -37.63 -51.84 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -99.14 78.82 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.2 m -174.9 108.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -44.54 142.37 3.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 146.79 61.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -130.94 137.23 49.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -119.45 176.38 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.766 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.25 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.451 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -54.4 122.52 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -48.89 -61.12 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.37 101.04 2.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -165.32 117.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -80.82 -21.65 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.53 120.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.568 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.56 166.39 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -111.13 -21.19 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 34' ' ' CYS . 76.8 mt -86.22 -56.85 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.86 -0.47 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp 44.9 43.72 7.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -107.76 141.09 15.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.65 113.1 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 9.2 m-85 -131.93 150.72 76.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.678 0.752 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 136.38 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' GLU . 35.6 m -39.46 -41.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 6.6 tp10 -45.36 -44.27 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -97.32 39.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.0 mmm -134.29 154.77 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 73.5 m -129.21 128.85 44.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.141 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -107.22 121.54 44.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 28' ' ' CYS . 17.0 mt -72.13 136.66 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.54 26.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' H ' HG22 ' A' ' 23' ' ' ILE . 11.3 mt-30 -120.37 -45.97 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.6 p -127.5 26.78 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 37.69 47.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.8 m -110.01 121.95 46.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 tt -100.68 140.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 87.4 m-85 -147.06 160.81 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.0 p -79.61 129.78 34.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 98.7 m -32.84 -63.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' THR . 39.6 mt -33.05 -67.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.557 ' HB3' HD12 ' A' ' 10' ' ' LEU . 73.6 m -50.68 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.0 mt -43.5 -27.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -75.16 -62.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.593 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -59.18 -25.56 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -69.8 -65.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.636 HG12 HG21 ' A' ' 51' ' ' ILE . 6.4 m -61.73 -21.38 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.8 -57.25 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.5 mm? -53.83 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 51' ' ' ILE . 19.1 mt -60.92 -56.32 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.431 HG13 HD11 ' A' ' 51' ' ' ILE . 81.1 mt -53.01 -56.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -45.94 -39.48 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.08 -73.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 120.88 -53.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.7 tt -38.62 -50.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.93 110.12 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.5 p -86.71 -49.12 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.62 113.19 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.636 HG21 HG12 ' A' ' 39' ' ' VAL . 56.4 mt -84.39 93.84 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -73.72 178.87 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.69 136.17 96.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.403 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -113.49 100.42 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -25.55 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.64 26.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.6 t -89.88 108.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -4.85 14.81 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -103.46 -26.21 12.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 49.01 54.25 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.71 145.77 25.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 14.7 t-80 -101.28 165.44 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.4 mm? -100.49 112.0 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.1 165.54 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.42 -63.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -43.72 -38.72 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' GLU . 18.8 mt -75.08 -49.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ILE . 19.0 tt0 -38.04 -67.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.86 -36.11 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.1 tpp -58.77 -70.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.9 m -80.99 173.61 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.97 167.62 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.38 -42.19 73.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 pm0 -59.36 -23.06 62.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.5 mm -95.58 -59.73 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.5 tpt -34.97 -45.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -46.28 -50.41 16.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -54.55 -37.67 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -77.07 -25.76 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -66.01 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 10.3 pttp -72.46 -36.16 68.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD11 ' HA2' ' A' ' 46' ' ' GLY . 12.3 mt -58.43 -32.95 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -74.55 -43.66 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' GLU . 42.2 t80 -57.37 -44.74 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' PHE . 25.9 mt-10 -36.76 -56.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -110.1 82.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -170.18 157.14 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.89 101.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -42.04 3.76 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -50.06 -46.26 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.8 m -96.97 93.99 6.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.501 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -60.59 -57.68 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 40.15 41.63 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.28 -126.0 1.73 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.448 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -89.27 143.13 27.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.815 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -102.53 -22.57 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.21 149.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.0 t -110.92 164.25 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.396 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -101.54 -37.73 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -73.31 -72.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -70.95 -24.06 62.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt 57.93 47.99 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.96 -148.55 14.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -146.75 114.62 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.43 153.57 68.64 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.731 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.74 54.96 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 m -47.46 -19.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.63 -39.44 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -97.75 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.8 mmm -139.44 162.79 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 51.7 m -133.69 126.65 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -98.65 138.06 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 25' ' ' GLN . 22.7 mt -95.22 126.69 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.47 25.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -116.31 -44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.8 p -133.28 29.75 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 37.06 47.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.6 m -109.38 131.92 54.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.9 tt -109.85 143.64 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.3 m-85 -152.51 146.99 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.9 p -66.98 124.57 23.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 31.8 m -32.41 -48.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 22.8 mt -41.99 -68.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 92.7 m -51.32 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.42 HD22 ' HE3' ' A' ' 72' ' ' MET . 8.5 mt -38.22 -44.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 32.1 ttmt -57.52 -56.86 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.7 mp0 -63.24 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 85.9 t80 -66.86 -65.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 HG21 ' A' ' 51' ' ' ILE . 5.2 m -58.88 -25.5 29.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.95 -60.8 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -49.82 -43.69 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.66 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.86 -43.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -55.15 -40.37 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.84 -69.03 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.51 -34.06 5.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.98 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -92.03 124.53 36.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 t -90.82 -32.38 16.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.57 134.64 37.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 HG12 ' A' ' 39' ' ' VAL . 34.1 mm -96.86 81.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -61.49 176.63 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.7 t -63.22 134.84 95.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.7 Cg_endo -69.76 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -121.18 106.49 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.12 85.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.36 62.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 11.4 t -43.99 117.61 2.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -19.33 35.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -95.09 -36.27 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 55.3 47.25 21.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.53 172.37 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 20.3 t-80 -108.99 164.71 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 mm? -96.49 115.58 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -54.66 147.88 13.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -52.97 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.94 -45.74 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -55.45 -57.27 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 30.2 mt -58.04 -47.53 86.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.21 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 26.8 tt0 -34.61 -58.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 94.1 m -80.25 -46.41 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.42 ' HE3' HD22 ' A' ' 35' ' ' LEU . 17.5 tpp -39.14 -48.7 1.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 m -109.67 162.86 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.71 175.85 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.29 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.09 -38.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 29.2 mm -82.5 -61.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.1 tpt -35.06 -50.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -41.92 -51.09 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -55.04 -49.38 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -53.6 -51.58 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -53.33 -41.44 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -58.08 -45.44 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.5 -53.03 58.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -43.5 -49.99 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLU . 13.3 t80 -68.1 -52.77 31.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' PHE . 21.4 mt-10 -34.79 -44.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 89' ' ' SER . 27.6 mtp180 -79.33 -47.02 16.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' ARG . 3.1 m -34.3 -46.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.09 164.86 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -46.99 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 m -133.14 131.77 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -120.64 81.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.061 -0.855 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -71.8 119.79 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 m -86.36 -53.1 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.1 84.88 0.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -98.62 112.34 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -83.0 -21.95 33.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 151.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -106.48 167.41 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -109.4 -24.46 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -87.12 -54.07 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.2 -7.06 30.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 42.56 54.2 4.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -113.56 156.68 15.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -86.28 110.86 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.418 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 20.6 m-85 -142.01 150.43 56.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.45 37.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -45.56 -24.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.47 -44.06 96.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.68 37.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.3 mmm -137.34 156.21 48.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 96.4 m -130.69 129.17 42.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -99.92 129.35 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 28' ' ' CYS . 36.0 mt -78.39 132.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.45 25.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.655 ' H ' HG22 ' A' ' 23' ' ' ILE . 12.3 mm100 -118.7 -51.65 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.2 p -122.45 18.75 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 47.2 46.21 16.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' ILE . 58.6 m -108.69 120.28 42.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.72 141.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 72.1 m-85 -151.07 140.67 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -66.36 130.32 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' CYS . 95.7 m -32.67 -58.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' THR . 69.6 mt -36.12 -68.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.4 m -49.93 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.4 mt -38.57 -40.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 42.1 tttm -60.25 -62.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -56.65 -44.51 81.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 60.3 t80 -52.52 -72.18 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 51' ' ' ILE . 13.1 m -50.7 -44.54 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' HG23 ' A' ' 39' ' ' VAL . 4.9 mt-10 -51.79 -60.96 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.2 mp -48.61 -61.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -41.86 -36.88 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.62 -37.26 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' CE ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.36 -30.65 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -70.26 -62.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.76 -33.65 6.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.37 -68.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -87.09 109.02 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -74.68 -35.35 62.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.01 145.15 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.68 HG21 HG12 ' A' ' 39' ' ' VAL . 12.0 mm -105.1 79.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.2 p -61.37 -177.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 t -73.99 136.08 76.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.65 3.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -107.05 111.86 24.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.62 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.06 21.3 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.1 t -85.89 111.42 37.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -19.46 36.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -37.3 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.6 52.95 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.0 179.55 41.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 64' ' ' LEU . 2.3 t-80 -134.51 164.11 28.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' ' CG ' ' A' ' 63' ' ' HIS . 4.2 mm? -100.38 113.68 26.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.84 -52.51 65.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -44.27 -43.46 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.23 -53.1 60.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 17.3 mt -61.55 -53.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -35.03 -49.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.9 m -77.92 -46.06 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 ttm -48.81 -61.05 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.12 157.67 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.93 -175.86 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -56.56 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -44.77 -24.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.8 mm -94.99 -59.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 77' ' ' ILE . 15.7 tpt -34.05 -46.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -47.28 -51.41 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HD3' ' CE ' ' A' ' 44' ' ' LYS . 20.2 mtp85 -54.64 -27.81 42.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 9.3 t80 -87.81 -32.99 18.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -67.65 -58.15 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -41.55 -44.86 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.79 -38.34 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.29 -48.86 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' GLU . 68.1 t80 -58.19 -62.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 86' ' ' PHE . 5.1 mm-40 -35.78 -49.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -100.44 47.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 86' ' ' PHE . 5.2 t -101.41 147.5 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.79 -113.99 0.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.7 m -129.65 91.61 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.0 p -96.19 -60.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -61.12 116.55 4.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -142.21 113.57 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 73.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -161.01 110.48 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -89.53 -19.38 25.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.44 162.69 1.31 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.7 t -124.98 164.19 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.15 -32.23 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.84 -75.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.23 -14.98 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mt 47.55 47.82 17.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.34 -161.97 25.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.18 115.88 18.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -144.87 150.67 47.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.712 0.768 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.81 26.45 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.761 2.307 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.09 -33.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -48.83 -45.58 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -97.28 45.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.652 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.0 mmm -142.23 158.26 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -132.12 148.08 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -118.37 138.26 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG22 ' H ' ' A' ' 25' ' ' GLN . 4.8 mt -96.36 121.49 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.11 -14.75 61.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' H ' HG22 ' A' ' 23' ' ' ILE . 6.1 mm-40 -66.4 -54.47 23.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 p -127.39 26.95 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 41.27 42.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.7 m -102.45 129.81 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -100.86 130.5 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 43.1 m-85 -139.74 139.9 36.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -64.83 130.88 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' LEU . 84.9 m -33.72 -62.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' THR . 10.7 mp -33.55 -63.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.6 -61.37 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 39' ' ' VAL . 7.2 mt -46.17 -32.04 2.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 34.2 tttm -70.99 -68.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.25 -46.84 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 56.7 t80 -50.93 -71.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 51' ' ' ILE . 10.7 m -55.09 -33.31 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.72 -59.98 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.24 -49.76 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.0 mt -48.05 -52.98 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.19 -44.74 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -57.25 -23.21 46.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.52 -70.27 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 118.48 -61.79 0.45 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLY . 17.7 tp -36.66 -53.18 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -73.51 133.36 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -99.99 -32.17 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.35 164.1 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.524 HG21 HG12 ' A' ' 39' ' ' VAL . 19.6 mm -113.08 86.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.8 t -65.44 170.27 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 t -56.17 134.31 75.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.727 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.1 Cg_endo -69.73 3.01 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.03 118.11 33.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 6.26 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.24 23.41 11.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.1 t -97.02 120.37 61.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.85 36.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLN . 28.9 tttm -110.26 -13.01 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' LYS . 21.1 mt-30 35.95 52.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.97 128.2 19.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.2 m80 -75.81 -176.58 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 64' ' ' LEU . 3.3 mm? -101.85 138.61 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.37 144.47 56.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -56.44 -41.32 76.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -46.34 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.01 -57.22 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLU . 17.3 mt -52.43 -51.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ILE . 35.0 tp10 -35.54 -64.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.76 -37.02 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.9 tpp -47.75 -61.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.43 171.93 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.01 149.25 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -38.24 -48.35 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -46.61 -42.55 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' MET . 35.8 mm -85.03 -54.12 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ILE . 8.8 tpt -36.74 -50.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -44.16 -48.93 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.4 mtp180 -48.43 -48.08 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -69.21 -42.22 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -54.82 -49.94 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -61.81 -41.49 97.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 18.7 mt -53.96 -50.98 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -54.54 -51.78 64.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -45.19 -55.53 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -40.51 -46.54 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -124.83 83.87 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.2 t -169.48 143.52 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 121.55 -150.5 17.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.548 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.47 0.61 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 t -85.54 -55.94 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -51.04 -60.45 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.2 m 37.38 41.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -144.4 127.83 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 100.18 1.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -156.06 117.66 3.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -93.58 -18.67 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.97 157.78 14.75 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.86 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.6 t -112.0 166.46 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -99.05 -25.08 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 34' ' ' CYS . 30.3 mt -93.02 -74.77 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' LEU . 28.0 p -77.8 4.69 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 8' ' ' CYS . 4.5 mm? 33.1 45.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.502 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -101.86 144.76 16.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -85.45 101.61 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 8.0 m-85 -123.39 150.81 61.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.747 . . . . 0.0 110.954 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.69 -39.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -46.36 -43.09 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.5 40.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.3 mmm -136.85 157.12 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -127.58 125.12 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.4 m -101.55 133.01 46.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.31 131.56 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.68 25.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -115.26 -42.28 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.2 p -132.94 17.94 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 48.1 41.45 15.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 57.8 m -104.8 134.63 47.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.49 145.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 68.3 m-85 -152.31 156.15 39.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -77.19 126.13 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 19.8 m -32.37 -56.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.0 mm? -36.99 -62.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.606 ' HB3' HD12 ' A' ' 10' ' ' LEU . 99.5 m -57.68 -71.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.0 mt -37.61 -34.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -67.99 -52.34 36.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' HD23 ' A' ' 41' ' ' LEU . 36.9 mt-30 -69.38 -26.56 64.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 83.8 t80 -67.78 -62.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.703 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.7 m -63.49 -25.44 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.89 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.4 mm? -54.94 -40.52 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 25.6 mt -62.39 -53.86 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 39' ' ' VAL . 33.4 mt -59.13 -50.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -51.68 -36.93 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.64 -50.06 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.55 -45.3 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.5 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 42' ' ' LEU . 6.3 mp0 -56.21 116.29 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 m -95.18 -26.65 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.81 133.88 54.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.571 HG21 HG12 ' A' ' 39' ' ' VAL . 49.2 mm -90.06 83.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 t -69.3 -179.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.3 135.36 91.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 38' ' ' TYR . 53.4 Cg_endo -69.85 -5.58 16.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.64 118.5 36.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.88 -48.23 59.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.69 -35.78 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 13.5 t -41.27 106.59 0.44 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.2 Cg_endo -69.7 -12.89 33.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -92.73 -39.34 11.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.54 54.96 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 141.55 22.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -84.52 170.91 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.57 141.0 28.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -73.03 136.65 45.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.8 -40.47 13.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.43 -58.22 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.562 HD13 ' CE2' ' A' ' 81' ' ' TYR . 16.7 mt -52.18 -37.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.73 -59.4 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -66.09 -38.79 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 tpp -51.56 -65.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 69' ' ' ILE . 15.0 m -91.39 170.18 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 153.0 18.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.52 -50.42 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -44.73 -41.2 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -88.16 -58.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.7 tpt -35.39 -41.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -49.51 -48.71 47.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.6 mtp-105 -53.36 -55.95 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 69' ' ' ILE . 27.6 t80 -51.15 -55.84 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -54.3 -44.1 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -60.77 -51.41 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.3 mt -47.78 -47.44 30.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.86 -51.69 66.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -41.22 -49.36 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -53.45 -47.89 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -116.93 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.6 t -146.73 110.37 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 158.07 -97.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 136.29 32.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.419 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -137.81 105.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.1 m -60.67 -47.66 85.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.565 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 58.37 42.52 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -166.07 159.93 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.12 -80.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -50.19 154.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -112.14 -24.4 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.02 152.65 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 t -110.04 164.38 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -102.82 -14.44 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 3.88 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD22 ' H ' ' A' ' 12' ' ' LEU . 2.4 mm? 39.32 45.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 15' ' ' TYR . . . -102.32 136.61 12.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.13 102.86 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 13' ' ' GLY . 10.7 m-85 -125.88 150.74 69.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.667 0.746 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 142.52 48.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.729 2.286 . . . . 0.0 112.296 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -48.25 -21.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -66.9 -36.66 82.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -99.16 36.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.5 mmm -135.5 160.17 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 m -129.56 124.14 33.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.7 m -95.62 138.92 32.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 28' ' ' CYS . 7.8 mt -96.9 128.67 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.55 22.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -112.63 -47.31 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.02 22.06 4.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 9.9 mm-40 42.67 47.97 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.6 m -110.36 124.32 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 14.4 tt -99.62 142.13 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 42.5 m-85 -152.72 147.76 26.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.3 p -67.94 126.21 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 40.2 m -32.05 -52.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 58.6 mt -39.25 -68.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.7 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 mt -39.56 -37.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.5 ttmt -65.05 -69.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -51.11 -38.42 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.71 -72.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG12 HG21 ' A' ' 51' ' ' ILE . 6.6 m -54.12 -34.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -52.88 -52.6 56.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.05 -42.18 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mp -58.7 -52.13 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 77' ' ' ILE . 85.1 mt -59.34 -45.4 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -59.81 -37.34 78.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.96 -66.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.507 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 114.64 -50.57 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.487 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 tp -48.79 -50.49 33.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.02 77.82 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.6 p -55.51 -34.49 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.82 170.78 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.588 HG21 HG12 ' A' ' 39' ' ' VAL . 13.0 mm -120.91 86.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -65.05 174.52 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.22 136.57 91.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.695 0.759 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.81 4.87 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.609 2.206 . . . . 0.0 112.41 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -104.53 155.5 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -34.56 8.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 59' ' ' PRO . . . -98.18 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -94.81 105.19 17.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 53.7 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -106.07 -28.45 10.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 47.83 53.33 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.94 156.5 20.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.528 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -104.76 176.19 5.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.86 150.5 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.0 168.21 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.43 -45.56 53.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -58.58 -39.53 80.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.86 -57.33 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.71 -46.24 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -38.11 -62.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.9 t -74.94 -37.4 62.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -45.77 -59.12 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -102.66 170.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.54 172.38 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.79 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.29 -51.33 14.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 78' ' ' MET . 43.6 mm -71.54 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.8 tpt -36.45 -50.81 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -46.93 -47.77 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 11.4 mtp-105 -59.47 -48.2 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.72 -30.27 71.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 3.0 pttm -72.37 -29.2 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 46' ' ' GLY . 14.5 mt -66.75 -47.84 71.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.02 -45.57 73.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -45.57 -41.45 9.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.09 -49.36 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.8 23.79 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.7 m -134.92 116.31 14.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.09 168.45 36.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' PRO . 35.2 t -33.59 117.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -81.53 106.2 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -107.01 130.99 54.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -89.55 -51.54 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.9 68.23 3.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.411 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -118.87 138.91 52.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -98.51 -23.46 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.3 132.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 t -87.51 165.91 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -102.49 -37.35 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' A' ' 34' ' ' CYS . 92.7 mt -72.12 -75.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -72.45 -24.7 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt 61.38 43.51 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.41 144.14 15.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.9 114.27 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -135.53 152.52 76.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.728 0.775 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HG2' ' OE1' ' A' ' 19' ' ' GLN . 54.0 Cg_endo -69.76 140.85 43.69 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.36 -25.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -57.47 -48.53 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 19' ' ' GLN . 12.6 mp0 -92.21 36.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -136.36 158.29 44.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.659 ' C ' HD12 ' A' ' 29' ' ' ILE . 54.3 m -132.03 128.68 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -97.59 135.47 39.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 25' ' ' GLN . 8.8 mt -93.79 144.93 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.32 6.1 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.9 mm-40 -96.35 -44.95 7.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 p -131.55 25.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 38.33 44.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -100.23 168.64 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 6' ' ' SER . 3.9 tp -140.31 146.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' N ' HG13 ' A' ' 29' ' ' ILE . 65.5 m-85 -153.38 156.21 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.8 p -77.42 124.94 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' CYS . 62.3 m -32.19 -54.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' THR . 34.0 mt -36.9 -65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.72 ' HB3' HD12 ' A' ' 10' ' ' LEU . 84.0 m -56.77 -70.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 7.9 mt -36.29 -35.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 36.1 tttm -63.49 -67.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -58.81 -29.78 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.38 -72.29 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.713 HG12 HG21 ' A' ' 51' ' ' ILE . 6.3 m -56.53 -24.78 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -72.02 -54.92 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.54 -38.26 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.62 -54.13 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 39' ' ' VAL . 54.5 mt -58.25 -42.94 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -57.07 -27.87 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.888 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.0 tp10 -69.71 -69.95 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.98 -31.61 6.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.888 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -52.81 -28.16 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -113.81 142.4 46.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -107.91 -26.75 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.73 124.25 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.713 HG21 HG12 ' A' ' 39' ' ' VAL . 26.1 mm -77.73 101.46 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -77.45 170.27 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.1 130.05 94.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.02 6.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 43.4 t0 -90.23 146.78 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.415 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -98.44 -34.66 10.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.85 30.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.7 t -92.52 106.95 20.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.02 37.1 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -92.82 -30.01 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 49.94 52.22 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.26 -177.68 51.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.8 -177.66 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -106.25 139.27 41.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 20.6 mm-40 -85.13 -178.88 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -75.81 -43.85 44.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 12.0 p30 -39.37 -44.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ILE . 43.5 mp0 -72.58 -71.96 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.547 HG22 ' SD ' ' A' ' 78' ' ' MET . 78.2 mt -35.12 -44.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -40.85 -66.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.03 -40.33 62.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.466 ' SD ' HG21 ' A' ' 39' ' ' VAL . 38.5 ttm -42.01 -50.6 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 m -113.46 169.77 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.99 159.17 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.0 -54.79 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -43.7 -46.19 7.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.44 HD13 ' HE ' ' A' ' 80' ' ' ARG . 31.7 mm -75.81 -56.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 69' ' ' ILE . 10.0 tpt -39.01 -49.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.56 -46.39 14.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HE ' HD13 ' A' ' 77' ' ' ILE . 56.8 mtt-85 -53.74 -51.98 61.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -54.13 -58.32 7.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -53.38 -35.3 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -66.08 -35.71 81.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.97 -54.1 46.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' ARG . 49.3 mm-40 -57.85 -61.61 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 4.7 t80 -35.14 -56.31 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.85 -39.94 95.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' GLN . 23.3 mmm180 -107.83 83.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.2 p -137.89 161.15 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.4 -140.62 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.13 27.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -50.53 131.16 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.1 m -83.64 83.2 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.441 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -118.04 157.63 26.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -139.8 121.35 15.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.92 -39.8 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -57.06 130.55 46.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.914 0.388 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -99.04 -24.66 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.4 156.25 30.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 12' ' ' LEU . 12.0 t -119.69 167.05 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -103.48 -39.62 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 34' ' ' CYS . 16.3 mt -74.7 -73.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -76.12 -19.72 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 8' ' ' CYS . 6.7 mt 55.01 46.97 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.0 169.66 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.3 121.11 39.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.39 151.54 47.68 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.654 0.74 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 132.65 23.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.1 m -44.33 -36.71 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.91 -54.54 23.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.58 -37.96 83.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.9 mmm -58.5 165.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 11.8 m -132.11 118.06 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -90.75 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.8 mt -91.72 130.73 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 27.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' H ' HG22 ' A' ' 23' ' ' ILE . 25.3 mm-40 -119.75 -48.98 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 p -128.78 26.7 5.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 39.97 47.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.4 m -110.0 128.71 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tt -100.47 144.24 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 76.6 m-85 -153.09 134.29 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.4 p -59.43 131.29 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 33.5 m -32.61 -63.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' THR . 29.7 mt -35.19 -69.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' HD12 ' A' ' 10' ' ' LEU . 93.6 m -51.98 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.689 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -34.53 -36.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 18.5 ttpp -71.07 -56.37 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 mp0 -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 49.3 t80 -65.47 -62.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.624 HG12 HG21 ' A' ' 51' ' ' ILE . 14.1 m -60.61 -32.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.46 -60.74 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 37' ' ' GLN . 2.6 mp -49.01 -48.05 43.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HG23 ' A' ' 51' ' ' ILE . 12.7 mt -53.21 -41.05 64.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.69 -46.28 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD2' ' NH1' ' A' ' 80' ' ' ARG . 1.3 mmmm -49.84 -45.55 50.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.18 -68.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 117.89 -55.25 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.416 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.5 tp -38.12 -59.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -83.29 111.48 19.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.7 m -84.9 -53.79 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.59 145.17 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.624 HG21 HG12 ' A' ' 39' ' ' VAL . 47.4 mt -116.61 85.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 1.1 t -70.82 -175.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.69 135.47 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.83 0.26 5.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.602 2.202 . . . . 0.0 112.393 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -109.23 112.14 24.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.23 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 25.48 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 t -98.89 114.7 65.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.02 15.19 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.393 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -100.56 -45.69 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 65.65 46.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.88 128.77 8.79 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 9.7 m80 -85.29 176.52 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.44 141.06 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.28 171.63 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' OE1' ' CE ' ' A' ' 78' ' ' MET . 8.7 tp10 -71.03 -52.9 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -49.24 -45.63 44.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -56.18 -54.62 43.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.12 -51.96 66.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -39.64 -58.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.57 -44.08 83.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.689 ' SD ' HD22 ' A' ' 35' ' ' LEU . 16.3 ttm -45.5 -57.86 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.61 170.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.97 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.53 -53.68 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -44.04 -39.12 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' MET . 25.9 mm -81.85 -61.39 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.466 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 14.6 tpt -34.86 -55.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -38.51 -48.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.449 ' NH1' ' HD2' ' A' ' 44' ' ' LYS . 86.2 mtt180 -55.58 -45.13 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.47 -55.69 25.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -46.35 -51.57 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -56.59 -52.07 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.471 HD11 ' HA2' ' A' ' 46' ' ' GLY . 21.5 mt -48.65 -50.15 34.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -46.39 -57.79 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.78 -54.08 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.68 -46.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -112.62 45.89 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -87.17 -56.12 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.97 164.2 35.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 98.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.619 2.213 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.5 m -80.25 82.82 6.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.8 t -105.4 110.57 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.421 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -157.08 122.19 4.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -97.99 45.46 1.02 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.48 111.19 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 p -153.34 133.39 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.484 ' HB3' HG21 ' A' ' 29' ' ' ILE . 4.3 m -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 118.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 t -86.9 140.92 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -101.36 10.13 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 54' ' ' PRO . 83.7 mt -108.47 -45.78 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -114.14 -15.35 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt 64.94 51.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -124.69 123.18 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.6 119.89 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 20.2 m-85 -138.91 152.37 70.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.683 0.754 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.53 42.87 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -46.82 -20.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.41 -41.25 85.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.44 38.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.0 mmm -136.94 155.8 49.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 21.5 m -126.67 131.46 51.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.0 m -98.74 133.25 43.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.769 HG22 ' H ' ' A' ' 25' ' ' GLN . 56.3 mt -86.28 128.99 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.12 23.46 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.769 ' H ' HG22 ' A' ' 23' ' ' ILE . 18.7 mt-30 -115.9 -45.26 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.8 p -134.03 32.86 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 36.7 43.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.8 m -105.01 125.43 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 6' ' ' SER . 8.7 tt -99.7 143.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 74.7 m-85 -153.26 150.08 28.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.4 p -69.34 127.33 32.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.2 m -32.58 -62.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' THR . 45.1 mt -35.57 -68.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 m -46.81 -66.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.63 HD13 ' HE1' ' A' ' 72' ' ' MET . 7.4 mt -41.06 -45.02 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -54.64 -60.69 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.47 -46.35 86.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.515 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 86.4 t80 -49.48 -60.18 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 HG21 ' A' ' 51' ' ' ILE . 8.2 m -67.03 -36.54 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.41 -65.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.57 -42.13 61.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 51' ' ' ILE . 19.0 mt -56.27 -46.84 79.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 81' ' ' TYR . 77.8 mt -70.0 -42.51 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.41 -36.61 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -58.3 -58.87 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.07 -41.02 2.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.85 -59.46 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.76 120.71 14.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -87.88 -30.87 19.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' O ' HD13 ' A' ' 51' ' ' ILE . . . -108.74 167.15 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 50' ' ' ALA . 28.0 mm -119.4 93.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -71.24 -178.97 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.1 t -72.2 134.78 82.59 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.687 0.756 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.1 Cg_endo -69.85 -4.0 13.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.604 2.203 . . . . 0.0 112.378 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.84 105.69 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.77 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.92 38.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 t -89.85 121.79 68.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -12.25 32.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -109.74 -24.39 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 49.74 50.64 17.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.02 -171.98 45.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -131.91 -177.45 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.325 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.37 107.2 18.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.575 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.7 OUTLIER -64.52 139.73 58.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.36 -33.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.08 -42.12 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.11 -65.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLU . 22.4 mt -44.11 -48.91 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ILE . 22.0 tt0 -35.19 -66.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' MET . 17.0 t -72.04 -46.31 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.63 ' HE1' HD13 ' A' ' 35' ' ' LEU . 10.1 tpp -36.77 -50.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -108.75 166.14 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.19 170.31 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.32 -58.51 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -39.12 -44.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.4 mm -78.7 -63.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.3 tpt -34.05 -48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -39.3 -49.43 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.19 -58.6 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.614 ' HB2' HD13 ' A' ' 43' ' ' ILE . 30.9 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -56.65 -38.04 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -60.96 -41.32 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 ' HA2' ' A' ' 46' ' ' GLY . 70.0 mt -60.65 -57.56 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' PHE . 8.5 mm100 -59.87 -55.29 35.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLN . 47.8 t80 -36.9 -56.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -57.49 -52.72 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -94.04 43.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -100.53 39.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.97 -126.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.71 157.04 61.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 t -69.3 106.64 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.6 t -42.27 -45.41 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.479 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -52.93 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -70.06 123.6 21.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.17 122.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 p -140.54 118.44 11.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -91.79 -19.34 22.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 151.94 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -116.22 168.25 10.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -104.28 -45.1 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.8 mt -67.31 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.49 -22.8 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt 57.16 39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.8 174.6 20.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -97.86 125.07 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -147.64 152.07 40.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.26 27.45 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.313 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 18' ' ' GLU . 1.3 p -47.78 -39.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 7.1 pt-20 -51.93 -36.46 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -83.84 -38.28 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.7 mmm -62.32 153.64 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 38.2 m -126.08 130.16 50.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -102.14 121.56 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 25' ' ' GLN . 21.2 mt -74.58 130.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.7 23.86 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.3 mm100 -114.83 -47.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.4 p -128.94 26.34 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 39.2 49.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -111.78 121.36 44.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 tt -91.44 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 67.5 m-85 -153.27 144.38 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' THR . 18.6 p -71.38 129.17 38.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' CYS . 88.4 m -32.29 -46.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.35 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 10' ' ' LEU . 86.4 m -49.5 -60.92 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 12.9 mt -46.83 -39.12 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -63.88 -65.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -56.06 -28.23 56.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -67.72 -72.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG12 HG21 ' A' ' 51' ' ' ILE . 12.3 m -51.92 -17.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.175 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -83.77 -45.99 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.52 -32.41 74.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.79 -60.6 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.1 -54.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.44 -46.02 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.43 -57.66 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 84' ' ' LEU . . . 98.28 -41.03 2.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' C ' ' A' ' 47' ' ' LEU . 9.5 tt -46.24 -61.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -95.79 80.82 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 t -51.47 -38.91 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.76 142.5 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 39' ' ' VAL . 37.2 mm -107.04 88.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 63' ' ' HIS . 10.4 t -70.74 -178.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.0 t -78.38 136.6 60.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.86 1.92 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -102.7 116.15 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.31 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 41.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 34.1 t -87.61 109.27 25.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.707 0.765 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 54.0 Cg_endo -69.75 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -104.8 -25.86 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 52.14 47.72 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.03 173.49 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 52' ' ' SER . 11.2 m80 -132.65 177.79 7.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.47 139.99 33.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.33 175.57 9.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.94 -63.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -40.75 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.08 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' GLU . 15.3 mt -71.74 -53.24 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 42.2 tt0 -34.16 -62.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.86 -41.67 97.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpp -45.22 -52.08 9.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.3 m -108.45 178.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.03 -178.69 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.52 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.26 -45.03 65.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.0 mm -77.49 -58.23 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' ILE . 11.2 tpt -34.29 -56.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 36.8 tt0 -35.93 -49.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -50.44 -53.82 26.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.76 -57.37 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.17 -44.02 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -54.04 -49.02 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD2' ' HA2' ' A' ' 46' ' ' GLY . 83.0 mt -57.65 -44.06 85.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.62 -45.06 85.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.43 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -101.89 80.78 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.7 t -174.78 137.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.09 19.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 116.45 4.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.7 m -77.2 98.06 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 m -49.8 111.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -130.74 158.99 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -112.36 117.27 32.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 -115.5 0.92 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.535 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -85.82 144.33 27.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -116.12 -19.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.62 138.13 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -97.16 166.53 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -104.64 -15.47 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 54' ' ' PRO . 6.3 mt -100.61 -61.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.2 p -91.54 4.5 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' H ' ' A' ' 12' ' ' LEU . 1.9 mm? 36.07 47.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -105.78 151.04 17.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -94.53 95.93 9.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CE1' ' HA3' ' A' ' 13' ' ' GLY . 8.9 m-85 -115.04 150.15 43.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.656 0.741 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.73 40.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.3 m -46.56 -25.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.06 -41.27 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -106.51 44.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.716 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.4 mmm -136.89 155.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.6 m -132.75 141.91 48.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -115.38 132.8 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.1 mt -87.51 126.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.22 0.32 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.017 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.618 ' H ' HG22 ' A' ' 23' ' ' ILE . 5.3 mm-40 -85.79 -60.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.61 25.76 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 41.86 36.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 56.8 m -98.58 132.75 43.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -107.82 137.09 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 29' ' ' ILE . 89.5 m-85 -145.15 151.24 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -72.75 127.64 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' CYS . 61.7 m -32.41 -49.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -41.39 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.6 m -53.82 -55.43 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD22 ' HE1' ' A' ' 72' ' ' MET . 4.7 mt -49.41 -31.6 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -74.33 -68.57 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -51.93 -30.12 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -62.7 -71.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.827 HG12 HG21 ' A' ' 51' ' ' ILE . 4.5 m -58.91 -24.82 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.89 -61.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.93 -47.19 71.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.38 -56.67 13.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.38 -43.42 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -55.34 -42.58 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.45 -64.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.451 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 111.1 -40.74 2.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.458 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.52 -60.07 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.89 86.47 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -69.26 -45.82 68.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.17 23.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.827 HG21 HG12 ' A' ' 39' ' ' VAL . 64.9 mt -92.73 88.66 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -71.88 -176.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.2 t -61.68 135.21 94.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' O ' HD21 ' A' ' 10' ' ' LEU . 53.4 Cg_endo -69.8 2.11 3.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.5 130.72 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.24 -3.99 58.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.29 18.07 18.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.47 115.05 62.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -24.18 29.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.45 -44.84 14.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 67.45 46.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.85 146.42 50.29 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 64' ' ' LEU . 7.8 t-80 -99.19 165.07 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 4.2 mm? -100.92 106.87 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -50.66 166.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.4 tt0 -61.42 -62.51 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 t30 -34.99 -49.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.67 -54.4 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 51' ' ' ILE . 22.3 mt -63.08 -47.02 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -37.96 -56.38 1.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.0 t -76.62 -33.45 58.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 35' ' ' LEU . 31.4 ttm -54.85 -65.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 m -92.5 158.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 157.66 26.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.01 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.54 -45.85 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' MET . 18.7 mm -77.66 -55.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' GLN . 10.1 tpt -37.13 -55.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' MET . 24.7 tt0 -34.81 -51.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -52.15 -48.42 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 78' ' ' MET . 90.7 t80 -65.4 -40.08 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.25 -47.95 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 31.5 pttt -69.42 -33.08 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD11 ' HA2' ' A' ' 46' ' ' GLY . 13.7 mt -62.69 -36.46 83.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.82 -43.49 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.59 -56.21 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -40.74 -45.49 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -103.14 79.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.0 t -171.37 124.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.29 176.09 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 147.67 63.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.275 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.4 p -64.97 128.42 35.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -132.73 146.62 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.475 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -117.84 131.82 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -81.58 48.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.49 161.51 11.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.414 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 p -164.41 125.3 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' OG ' HG12 ' A' ' 17' ' ' VAL . 18.5 m -109.59 -18.57 13.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 125.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -87.9 166.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -105.48 -36.12 7.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.24 -65.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.47 -20.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt 53.77 48.63 20.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.4 142.94 17.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.67 116.68 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.96 151.73 56.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 135.58 30.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG12 ' OG ' ' A' ' 6' ' ' SER . 27.1 m -43.17 -24.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.16 -42.19 90.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -96.65 41.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' ILE . 50.1 mmm -139.59 160.87 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.1 m -130.84 132.21 45.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 m -106.39 132.91 51.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' ' 28' ' ' CYS . 21.6 mt -83.09 142.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.68 31.14 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -126.7 -43.53 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' GLN . 13.5 p -131.45 28.69 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 45.4 mm-40 35.56 47.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -108.09 127.39 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 20' ' ' MET . 6.3 tt -101.71 145.26 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 83.7 m-85 -153.36 148.99 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' THR . 19.8 p -70.72 130.27 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' CYS . 25.9 m -35.61 -49.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 85.0 mt -45.03 -69.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.8 m -49.44 -58.11 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.8 mt -49.12 -37.23 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 43.3 tttt -65.44 -68.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.504 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.5 mp0 -50.73 -42.18 57.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 66.4 t80 -55.74 -72.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.987 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG12 HG21 ' A' ' 51' ' ' ILE . 13.9 m -50.46 -40.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 39' ' ' VAL . 12.3 mt-10 -51.28 -58.98 4.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.2 mm? -52.09 -47.13 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.86 HD22 HG23 ' A' ' 51' ' ' ILE . 7.1 mp -54.17 -54.75 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 80.4 mt -53.83 -48.11 62.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -54.42 -46.43 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.31 -58.02 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.87 2.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.36 -59.32 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.99 84.47 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -62.42 -36.03 81.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.95 125.82 28.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 42' ' ' LEU . 55.9 mt -97.77 114.7 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -94.86 174.36 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.7 t -60.14 134.89 90.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 0.7 5.35 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.32 110.37 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.24 70.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.72 32.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 t -101.16 114.74 65.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.5 Cg_endo -69.77 -1.29 8.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.5 tppp? -122.76 -19.08 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 60' ' ' LYS . 1.9 pt20 32.08 45.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 125.55 33.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -68.73 169.46 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.67 146.94 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' CD ' ' A' ' 65' ' ' GLN . 2.2 mp0 -82.66 155.09 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.17 -40.79 86.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -56.45 -42.93 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.05 -59.61 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.675 ' CD1' HD12 ' A' ' 51' ' ' ILE . 68.7 mt -50.24 -40.71 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.68 -46.65 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 48.7 t -76.48 -48.71 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -56.73 3.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.58 151.05 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.64 172.32 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.77 -55.36 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -40.02 -40.49 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 78' ' ' MET . 46.5 mm -84.78 -61.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 77' ' ' ILE . 14.2 tpt -33.11 -48.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -47.71 -48.76 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ILE . 69.8 mtt180 -53.28 -25.86 16.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -88.72 -40.07 13.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -60.08 -51.45 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 34.6 pttt -58.33 -41.91 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 15.1 mt -46.86 -50.52 18.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.69 -55.27 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 5.6 t80 -43.04 -52.68 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.65 -44.88 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -121.76 84.05 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.5 p -129.06 151.28 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.44 -172.3 41.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 110.22 2.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.5 m -91.94 129.73 37.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.5 t -151.83 132.49 13.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.533 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -109.69 150.13 28.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.66 142.86 3.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.63 58.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 m -137.01 156.18 48.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -101.71 -35.41 9.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.2 83.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.55 154.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -96.69 -28.97 14.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 34' ' ' CYS . 88.3 mt -76.62 -70.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 p -91.94 -26.4 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD12 ' C ' ' A' ' 11' ' ' CYS . 1.2 mp 56.63 54.55 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -80.92 -9.02 86.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 66.94 53.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CE2' ' HA3' ' A' ' 13' ' ' GLY . 34.5 m-85 -90.9 152.77 44.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.647 0.736 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 143.78 51.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -40.74 -37.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -49.77 -43.67 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.27 47.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.4 mmm -147.13 162.24 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 97.3 m -131.46 129.57 41.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.192 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -100.23 125.79 46.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.766 HD12 ' HB2' ' A' ' 28' ' ' CYS . 29.3 mt -78.43 128.19 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.69 21.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.032 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 23' ' ' ILE . 8.0 mm-40 -115.79 -45.95 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' GLN . 11.8 p -131.55 31.71 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 26' ' ' CYS . 77.3 mm-40 34.4 42.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.766 ' HB2' HD12 ' A' ' 23' ' ' ILE . 57.0 m -103.41 122.53 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 tp -93.35 144.74 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 29' ' ' ILE . 43.0 m-85 -153.24 140.89 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.0 p -67.82 131.75 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' CYS . 97.4 m -32.45 -65.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' THR . 12.7 mt -35.85 -67.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.678 ' HB3' HD12 ' A' ' 10' ' ' LEU . 19.0 m -45.61 -59.04 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD22 ' CE ' ' A' ' 72' ' ' MET . 8.0 mt -51.04 -34.8 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.93 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -32.27 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.84 -72.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 51' ' ' ILE . 12.2 m -51.34 -35.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.229 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.59 -65.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.38 -43.19 23.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 51' ' ' ILE . 12.6 mt -58.24 -59.95 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 61.8 mt -52.18 -56.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.2 mptm? -37.72 -43.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.18 -68.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.61 -37.97 3.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.29 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.72 134.67 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' ' 85' ' ' GLN . 12.2 m -94.34 -29.1 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.63 161.22 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 39' ' ' VAL . 39.5 mm -109.22 110.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.6 p -84.47 -177.59 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.93 135.73 85.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.489 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 3.15 2.95 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 62.7 t0 -102.8 143.2 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . -93.01 -35.27 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.81 33.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.2 t -102.95 100.03 15.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.99 35.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -42.15 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 66.93 47.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.9 120.51 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -84.97 162.19 19.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.97 117.74 31.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.12 -175.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 20.0 tt0 -74.92 -49.72 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 11.8 t30 -36.62 -65.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' ILE . 13.7 mp0 -48.83 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.559 HG22 ' SD ' ' A' ' 78' ' ' MET . 85.2 mt -37.8 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' ILE . 38.1 tt0 -35.51 -44.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.64 -48.75 20.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.57 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -45.4 -58.61 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.45 150.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -174.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.98 58.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -43.24 -32.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 78' ' ' MET . 23.1 mm -91.01 -59.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.559 ' SD ' HG22 ' A' ' 69' ' ' ILE . 11.3 tpt -34.18 -44.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -46.52 -50.05 17.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -48.43 -49.46 35.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -59.01 -55.41 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -53.83 -41.45 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -59.34 -38.53 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.26 -57.41 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.556 ' HG2' HG22 ' A' ' 49' ' ' THR . 33.3 mt-30 -58.63 -56.2 25.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 85' ' ' GLN . 15.0 t80 -34.43 -50.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -46.19 -49.15 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 8.8 mtp-105 -75.2 -47.45 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' ARG . 5.2 t -34.63 -44.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.56 136.79 7.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 92' ' ' SER . 54.1 Cg_endo -69.7 5.01 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 91' ' ' PRO . 40.9 t -29.62 134.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.8 p -64.2 96.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.456 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -146.75 133.44 19.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -112.1 137.65 49.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 -47.82 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -45.31 154.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -126.55 -23.2 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.14 122.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 21.8 t -82.23 118.07 22.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -63.06 -5.64 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 34' ' ' CYS . 26.3 mt -101.62 -64.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' LEU . 27.6 p -95.96 19.48 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.7 tp 32.85 48.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.613 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -115.03 135.99 12.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.31 105.99 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 23.3 m-85 -128.78 152.64 79.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.683 0.754 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.43 53.91 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 m -51.1 -20.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.02 -37.65 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -104.97 34.91 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.4 mmm -135.28 153.36 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -131.92 129.52 40.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -103.97 125.27 50.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -80.88 136.76 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.03 28.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.055 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -115.45 -43.87 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -131.32 16.59 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 50.67 43.94 27.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 58.2 m -105.92 139.35 40.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 tt -113.5 143.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 66.2 m-85 -153.16 154.61 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 p -78.7 132.62 37.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 86.8 m -32.46 -65.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD22 ' H ' ' A' ' 33' ' ' LEU . 4.0 mm? -33.96 -58.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB3' HD13 ' A' ' 10' ' ' LEU . 3.6 m -57.59 -67.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 4.1 mt -47.77 -23.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -76.36 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -57.36 -38.35 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CE1' ' HA ' ' A' ' 54' ' ' PRO . 92.2 t80 -55.21 -67.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 51' ' ' ILE . 5.7 m -60.97 -36.51 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.94 -65.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -49.18 -48.8 44.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 51' ' ' ILE . 37.3 mt -51.83 -43.14 63.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.93 -40.56 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -61.63 -35.72 78.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.14 -58.61 7.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.68 30.94 9.86 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.1 tp -110.26 -75.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -87.18 100.8 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.3 m -55.53 -61.95 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.78 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 69' ' ' ILE . 65.6 mt -104.17 112.32 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 p -88.43 -178.06 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.39 135.62 96.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HB2' HD21 ' A' ' 10' ' ' LEU . 53.5 Cg_endo -69.81 0.98 4.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.61 116.39 32.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.29 -11.67 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.63 24.63 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.4 t -95.75 108.51 40.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -100.37 -30.09 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 53.49 48.89 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.83 125.65 30.86 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -80.21 167.98 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.57 121.79 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -69.84 151.7 45.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ASN . 38.5 tt0 -51.1 -52.51 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.3 p30 -36.71 -48.62 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.41 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 HD12 ' A' ' 51' ' ' ILE . 52.7 mt -48.15 -45.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 69' ' ' ILE . 7.9 tm-20 -35.17 -66.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.21 -42.51 59.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.0 tpp -38.39 -48.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.68 173.56 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.99 178.2 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.85 -41.11 10.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' MET . 34.8 mm -80.8 -63.44 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' ILE . 10.1 tpt -34.38 -46.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -46.3 -50.82 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -51.43 -51.92 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.35 -56.4 11.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.15 -44.48 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -56.07 -44.8 79.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.65 -40.51 75.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -64.68 -53.17 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' GLU . 32.5 t80 -42.26 -53.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' PHE . 46.2 mt-10 -35.27 -50.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' SER . 26.9 mtt-85 -95.97 -68.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ARG . 2.5 t -35.05 143.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.02 -100.28 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -21.19 33.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.42 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -100.29 136.86 39.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -67.09 148.75 51.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.506 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -38.63 138.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -75.97 -55.49 5.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.85 117.1 0.51 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -71.62 108.71 5.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 m -65.94 -23.4 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.01 105.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -67.08 168.17 10.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -106.1 -41.15 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 34' ' ' CYS . 34.9 mt -70.36 -67.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -79.94 -24.38 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.74 50.13 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.93 141.84 17.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.86 113.15 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -141.05 152.63 65.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.81 68.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.56 -21.06 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -64.73 -40.45 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.44 40.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.0 mmm -138.33 158.99 43.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -133.27 127.94 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -107.55 137.61 45.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 25' ' ' GLN . 5.8 mt -85.66 148.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.58 8.26 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' HG22 ' A' ' 23' ' ' ILE . 9.5 mm-40 -99.01 -63.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -104.88 -5.26 21.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER 66.02 49.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.6 m -110.23 129.55 55.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.2 tt -96.68 141.71 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 62.2 m-85 -152.79 146.15 24.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.9 p -71.54 125.95 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 31' ' ' CYS . 22.3 m -32.0 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -44.34 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.622 ' HB3' HD12 ' A' ' 10' ' ' LEU . 88.3 m -51.2 -67.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 10.0 mt -39.25 -41.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.38 -54.87 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 1.6 mp0 -65.03 -28.57 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -69.22 -59.1 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.633 ' O ' HD12 ' A' ' 43' ' ' ILE . 14.5 m -64.44 -24.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.63 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 37' ' ' GLN . 3.9 mm? -50.76 -39.61 52.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' OE1' ' A' ' 48' ' ' GLU . 13.0 mt -66.83 -57.21 7.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 39' ' ' VAL . 36.6 mt -55.99 -56.65 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -40.25 -41.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -52.99 -59.83 4.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 84' ' ' LEU . . . 106.18 -49.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 tt -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' OE1' HD22 ' A' ' 42' ' ' LEU . 6.4 tt0 -78.47 145.78 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -108.72 -42.34 4.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.88 153.34 22.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 39' ' ' VAL . 25.4 mm -115.48 86.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.8 m -62.11 179.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.73 135.47 83.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -73.5 153.19 40.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.37 -24.05 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.58 49.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -103.63 101.91 27.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.1 32.24 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.739 2.292 . . . . 0.0 112.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 25' ' ' GLN . 5.5 tmtt? -92.21 -37.24 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 59.99 53.41 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.9 134.67 13.32 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -87.81 169.82 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.57 125.97 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.75 158.11 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.93 -58.32 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -38.67 -46.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.84 -61.08 2.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLU . 53.2 mt -53.84 -53.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' ILE . 34.9 tt0 -37.28 -64.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.19 -46.67 76.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' HG11 ' A' ' 39' ' ' VAL . 33.5 ttm -41.08 -51.72 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.58 179.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -100.31 152.89 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . -36.48 -55.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -42.08 -50.48 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' MET . 37.4 mm -73.84 -58.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.2 tpt -35.34 -57.47 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' MET . 25.6 tt0 -36.72 -53.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -49.75 -47.18 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -54.96 -52.48 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -59.03 -47.27 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -47.61 -47.05 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.498 HD11 ' HA2' ' A' ' 46' ' ' GLY . 96.0 mt -59.37 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -59.99 -49.45 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -48.98 -47.92 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -53.2 -46.88 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -110.9 79.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -130.42 165.0 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.7 -164.68 12.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.89 49.06 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.638 2.226 . . . . 0.0 112.314 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.3 m -111.04 120.67 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -81.21 43.85 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -147.1 160.24 42.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -127.14 138.77 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.27 42.62 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -138.22 107.3 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -89.2 -25.01 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.76 104.92 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 t -62.43 165.8 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -108.63 -20.06 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' A' ' 34' ' ' CYS . 15.2 mt -88.4 -59.23 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 13' ' ' GLY . 24.6 p -103.32 15.19 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 8.6 tp 34.31 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 15' ' ' TYR . . . -91.56 142.74 16.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 112.23 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 18.0 m-85 -133.78 151.82 77.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.74 0.781 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.9 Cg_endo -69.84 121.42 8.09 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.595 2.197 . . . . 0.0 112.366 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -35.09 -31.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' PRO . 54.0 mm-40 -51.58 -54.92 22.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.39 -39.52 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.7 mmm -54.08 166.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 99.8 m -133.19 105.46 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -80.54 121.39 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.641 HD12 ' HB2' ' A' ' 28' ' ' CYS . 11.2 mt -77.9 135.41 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.02 25.29 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.594 ' H ' HG22 ' A' ' 23' ' ' ILE . 42.4 mm-40 -118.25 -47.06 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 20.4 p -128.88 27.38 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 36.54 49.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.641 ' HB2' HD12 ' A' ' 23' ' ' ILE . 60.8 m -111.93 122.85 48.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 15.7 tt -93.52 141.29 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 55.9 m-85 -152.99 138.77 17.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.2 p -66.44 132.2 47.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' LEU . 97.7 m -35.47 -65.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 3.9 mm? -32.27 -67.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.713 ' HB3' HD12 ' A' ' 10' ' ' LEU . 51.4 m -48.35 -66.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 9.5 mt -40.19 -43.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -58.05 -63.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.02 -38.55 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -58.26 -71.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 HG21 ' A' ' 51' ' ' ILE . 10.5 m -51.69 -24.6 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.94 -57.34 4.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.97 -37.13 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.28 -54.91 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 39' ' ' VAL . 22.9 mt -50.67 -54.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -44.81 -41.47 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.36 -58.8 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.455 ' HA2' ' CD1' ' A' ' 84' ' ' LEU . . . 86.81 37.02 8.78 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.2 tp -104.33 -63.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -95.43 93.01 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 p -41.13 -35.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.33 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.863 HG21 HG12 ' A' ' 39' ' ' VAL . 14.0 mm -87.88 97.81 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -65.57 175.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.51 135.79 94.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 54.2 Cg_endo -69.73 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -95.45 161.75 13.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.61 -21.27 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.42 43.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.81 102.12 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -94.05 -35.88 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 60.24 48.77 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.49 136.33 18.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.65 168.01 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.33 123.22 45.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' ILE . 71.6 mt-30 -73.58 143.12 46.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -44.9 -38.97 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -40.92 -34.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -84.38 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.7 mp -37.41 -45.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' ILE . 12.8 tm-20 -37.14 -67.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 85.6 m -76.25 -42.27 46.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 ttm -40.39 -52.63 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 69' ' ' ILE . 14.9 m -104.26 150.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.68 -176.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLN . . . -74.09 -57.3 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 79' ' ' GLN . 2.6 pt-20 -47.17 -21.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.4 mm -92.46 -48.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 tpt -54.16 -37.74 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -45.76 -46.98 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -58.99 -53.6 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.626 ' CD2' ' NE2' ' A' ' 85' ' ' GLN . 30.3 t80 -51.56 -60.65 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -41.94 -39.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -70.83 -45.7 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HA2' ' A' ' 46' ' ' GLY . 11.9 mt -52.83 -54.8 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.626 ' NE2' ' CD2' ' A' ' 81' ' ' TYR . 13.6 mt-30 -55.24 -45.65 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -53.76 -51.3 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -45.64 -47.08 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -97.88 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -100.21 105.62 17.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 91' ' ' PRO . . . -176.09 -62.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 90' ' ' GLY . 54.6 Cg_endo -69.65 112.6 3.1 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.77 2.313 . . . . 0.0 112.358 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.0 p -55.59 119.32 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.0 t -67.05 108.02 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.441 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -109.96 133.44 53.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -58.47 -57.02 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.1 112.05 0.85 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -126.89 163.37 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.831 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 m -120.04 -16.55 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.58 156.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.72 166.6 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -104.65 -32.02 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 34' ' ' CYS . 23.5 mt -78.52 -70.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -78.27 -23.24 47.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt 59.87 50.74 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.7 -175.44 21.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' C ' ' CG ' ' A' ' 15' ' ' TYR . 4.9 tt0 -109.52 128.3 55.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CG ' ' C ' ' A' ' 14' ' ' GLU . 8.0 m-85 -156.9 151.12 19.86 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.71 61.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.9 -14.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.18 -47.0 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.59 -39.48 64.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.444 ' HB3' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mmm -56.98 164.83 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -130.81 122.58 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -91.83 122.12 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 28' ' ' CYS . 43.8 mt -77.79 135.75 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.09 21.73 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' ILE . 7.5 mm-40 -117.85 -43.5 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' GLN . 19.5 p -131.17 25.0 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.2 mp0 37.28 51.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.71 ' HB2' HD12 ' A' ' 23' ' ' ILE . 54.4 m -109.31 147.97 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 20' ' ' MET . 13.1 tt -118.18 139.14 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 84.6 m-85 -151.87 144.16 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' THR . 14.1 p -65.36 128.49 36.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 33' ' ' LEU . 99.0 m -32.83 -60.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 32' ' ' THR . 33.1 mt -34.02 -67.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' HD12 ' A' ' 10' ' ' LEU . 94.4 m -50.78 -72.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 mt -37.47 -35.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.56 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.632 ' O ' HD23 ' A' ' 41' ' ' LEU . 27.7 mt-30 -56.34 -33.32 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.64 -71.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.478 HG12 HG21 ' A' ' 51' ' ' ILE . 5.8 m -56.36 -39.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 39' ' ' VAL . 17.8 mt-10 -52.18 -58.78 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 37' ' ' GLN . 4.3 mm? -53.12 -38.35 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.538 HD12 HG23 ' A' ' 51' ' ' ILE . 80.7 mt -63.79 -68.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.532 HD11 HG21 ' A' ' 69' ' ' ILE . 84.7 mt -51.96 -20.14 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -89.52 -28.45 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.85 -59.89 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.0 -32.5 7.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.95 -68.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -81.04 105.14 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.433 HG23 ' HB3' ' A' ' 84' ' ' LEU . 77.9 m -73.11 -38.83 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.13 141.03 36.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 42' ' ' LEU . 20.4 mm -101.3 82.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -64.63 179.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.6 136.78 80.58 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.389 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -108.93 115.59 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.95 -9.17 57.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.34 28.54 7.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 18.1 t -91.95 107.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' CYS . 53.7 Cg_endo -69.76 -14.17 35.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -92.55 -29.54 16.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 56.15 45.67 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.58 140.42 17.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -94.86 179.7 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.2 152.87 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -88.07 165.98 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.22 -63.17 1.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -45.65 -42.23 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.45 -40.67 92.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.532 HG21 HD11 ' A' ' 43' ' ' ILE . 18.8 mt -73.21 -54.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' ILE . 10.5 tt0 -34.14 -61.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.6 t -64.07 -38.75 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.1 ttm -55.34 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.3 m -86.95 173.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.39 175.86 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.34 91.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.75 -43.42 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' MET . 40.9 mm -81.15 -57.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ILE . 13.5 tpt -36.06 -45.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -52.04 -50.91 60.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -54.53 -25.33 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -80.27 -44.13 20.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -54.55 -54.46 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -65.91 -35.93 81.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.5 mt -60.11 -39.31 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -66.04 -28.46 68.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -76.19 -18.75 58.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.91 -48.91 56.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -80.97 12.28 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -104.87 -52.59 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.81 168.94 24.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.92 69.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -149.51 175.88 11.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 t -52.09 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.483 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -57.89 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -47.87 -51.15 24.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.75 -84.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -38.71 149.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -99.67 -16.99 17.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.56 133.13 2.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.42 166.78 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -103.99 -36.97 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' CYS . 20.8 mt -78.19 -73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -72.55 -15.83 61.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 mt 53.0 45.0 29.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.86 -161.17 25.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -137.22 107.96 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -128.68 152.26 78.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.711 0.767 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' VAL . 53.3 Cg_endo -69.86 122.31 8.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 18' ' ' GLU . 34.6 m -35.66 -40.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.6 tp10 -47.65 -50.08 25.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -74.33 -40.91 61.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.583 ' HB2' HD11 ' A' ' 29' ' ' ILE . 33.6 mmm -55.97 168.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -128.76 115.44 17.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.5 m -87.02 125.7 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 25' ' ' GLN . 51.7 mt -77.36 127.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.71 23.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 23' ' ' ILE . 15.6 mm-40 -117.51 -46.94 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.1 p -130.72 32.53 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 mm-40 34.57 47.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.7 m -110.77 130.19 55.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' MET . 13.4 tt -102.49 143.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 28' ' ' CYS . 79.5 m-85 -153.06 133.5 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.6 p -59.41 126.06 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 63.0 m -32.44 -50.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 40.1 m -62.69 -69.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.2 tt -35.73 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 39' ' ' VAL . 18.5 ttpt -72.6 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.52 -46.76 80.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 54' ' ' PRO . 34.6 t80 -45.48 -67.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.003 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' A' ' 51' ' ' ILE . 22.9 m -52.77 -31.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.53 -63.08 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.11 -40.81 11.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.69 -59.79 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.405 HG13 HD11 ' A' ' 51' ' ' ILE . 56.9 mt -44.84 -47.06 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -47.13 -39.08 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.622 ' HG2' HD23 ' A' ' 47' ' ' LEU . 5.5 tp10 -62.15 -71.18 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.28 46.1 5.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.55 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.622 HD23 ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -127.84 -29.15 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -88.96 -27.59 20.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m 54.23 29.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.73 142.64 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.728 ' CG2' HG12 ' A' ' 39' ' ' VAL . 17.0 mm -99.24 88.69 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -76.87 -174.61 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.03 135.08 82.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 1.9 4.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.375 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -99.57 137.86 37.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.56 -25.75 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.27 35.8 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.7 t -92.06 115.1 64.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.75 29.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -85.6 -38.18 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 59.09 50.2 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.15 -169.76 42.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -141.36 178.18 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.64 137.55 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -70.43 138.71 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -44.29 -53.1 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.54 -51.09 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.09 -58.68 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . 12.8 mt -52.86 -57.06 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' ILE . 4.0 tm-20 -34.76 -58.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.41 -45.41 69.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.44 ' SD ' HD22 ' A' ' 35' ' ' LEU . 23.4 ttm -47.44 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -94.83 139.72 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 167.58 5.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 -60.05 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -38.37 -41.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' MET . 20.6 mm -79.66 -62.4 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' ILE . 12.3 tpt -33.91 -43.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -48.44 -50.19 32.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 77' ' ' ILE . 52.0 mtt-85 -49.95 -52.32 34.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -59.71 -56.16 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -49.41 -38.32 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -40.19 81.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -41.93 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.89 -45.86 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.59 -46.23 77.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -44.59 -55.4 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -103.91 80.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -172.96 150.78 2.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.04 -92.69 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -36.06 11.24 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.646 2.23 . . . . 0.0 112.309 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -51.41 157.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -56.61 144.78 30.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.465 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_