data_2csj_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 2csj _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 ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 75.2 m95 -81.81 109.12 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.34 139.76 34.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -94.1 153.12 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -138.39 111.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -98.36 99.92 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.32 149.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.61 129.91 54.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.7 mt -108.3 150.03 27.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 47.5 mt-30 -107.46 128.51 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -62.38 96.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.6 t70 -62.9 -174.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -42.09 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -112.41 -50.02 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -52.22 -20.17 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.467 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 55.1 -110.67 1.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -80.65 4.81 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.24 2.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.86 158.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.79 142.64 34.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.31 143.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -136.96 141.88 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.99 -149.29 18.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.18 161.25 9.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -71.7 -9.02 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -122.97 -18.79 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.73 60.05 39.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 81.89 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.9 t-80 -45.26 -38.7 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.3 t80 -33.66 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.7 tt0 -33.68 -47.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -65.23 -55.98 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.71 81.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -131.79 106.92 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -76.28 48.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.3 m -129.62 117.32 20.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.58 128.12 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.04 142.79 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.2 105.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -92.17 14.12 17.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -162.79 130.08 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 54' ' ' LEU . 42.6 t -134.83 96.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.9 tp -34.05 106.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.71 -7.71 21.74 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.17 19.1 4.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.49 -157.97 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.63 16.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -64.5 -44.68 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -44.46 91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 124.24 -51.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' CD1' HD23 ' A' ' 20' ' ' LEU . 82.2 mt -66.05 -50.26 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.6 mt -121.43 169.96 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -139.76 170.32 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.8 tt0 -71.68 140.65 49.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 0.9 OUTLIER 74.17 31.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' VAL . 41.4 p-10 -86.34 82.96 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -37.7 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' ASP . 12.9 t -68.94 129.77 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.24 -51.51 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.404 ' C ' HG22 ' A' ' 72' ' ' VAL . 20.5 ttm -135.39 154.75 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.404 HG22 ' C ' ' A' ' 71' ' ' MET . 89.6 t -146.42 105.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 61.09 25.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 29.96 10.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.7 m -134.43 126.43 18.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.99 6.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 mmt -97.36 15.9 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.48 124.33 33.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 60.83 42.05 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -117.21 162.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.89 141.85 44.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.2 t60 -45.57 -41.99 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -64.82 -36.32 83.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -64.36 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.36 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.43 -40.98 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.8 tp60 -38.45 -58.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -49.74 -39.11 36.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.68 -50.6 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 90' ' ' ARG . 3.1 ptm85 -67.5 -26.96 66.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -74.93 -39.07 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLY . 3.1 t -59.1 117.06 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.75 -81.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -132.85 -31.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 24.9 mm -111.55 127.08 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.22 152.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.16 115.32 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 50.6 mt -114.73 138.19 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.97 99.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -105.86 159.88 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -123.95 138.9 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -121.48 138.66 28.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.779 0.323 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 60.2 m95 -78.83 106.8 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -98.13 148.25 23.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -94.02 131.42 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.68 111.63 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -99.42 98.14 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.73 144.49 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.78 132.84 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.92 155.03 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 72.8 mt-30 -111.15 136.32 50.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -69.41 87.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.71 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -40.2 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' GLY . 36.2 mmtt -111.72 -57.26 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -42.64 -24.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 25' ' ' LYS . . . 67.73 -123.93 20.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -72.34 1.42 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.84 58.11 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -155.17 144.18 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -129.65 132.91 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 25.0 m -106.17 139.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -125.77 156.55 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 -154.18 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.96 149.68 5.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 36' ' ' ARG . 3.3 ppt_? -63.72 -9.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -116.36 -28.05 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -134.38 65.7 68.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 83.13 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -34.0 -51.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.3 m-85 -32.68 109.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.1 -32.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -68.12 -49.12 63.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.44 52.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -99.87 115.36 29.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.9 p -85.11 42.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.1 m -121.04 132.51 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 40.2 mm -67.01 124.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.84 148.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.464 ' CG2' HG22 ' A' ' 53' ' ' VAL . 8.5 mm -85.54 105.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -97.5 14.41 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 6.8 m-20 -159.07 119.4 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 50' ' ' ILE . 55.9 t -129.57 93.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -35.3 105.72 0.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.0 4.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.3 4.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -116.51 -156.09 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.6 6.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -58.72 -44.33 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -45.68 90.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.4 -50.68 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.45 -51.4 60.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.99 169.54 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.63 173.7 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.64 150.28 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 62.31 25.03 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.91 80.59 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 110.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.5 t -77.88 136.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.59 -40.36 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ttm -144.81 150.95 38.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -142.65 105.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.89 27.66 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.16 23.43 27.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -128.55 126.76 23.53 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.635 0.731 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 124.17 10.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.0 mmt -102.77 22.4 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -96.35 121.4 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.15 44.17 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -117.73 171.46 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.5 mt -80.16 144.47 32.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 4.0 t60 -50.12 -39.01 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.3 m -70.67 -31.56 68.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.77 -46.41 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.85 75.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -64.88 -41.84 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 4.7 tp60 -38.33 -58.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -49.18 -36.23 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' VAL . 39.1 mt -64.51 -54.83 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 90' ' ' ARG . 1.7 ptm85 -62.1 -29.54 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.38 -49.48 48.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -50.39 123.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.31 -84.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -128.06 -28.87 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 37.0 mm -113.92 131.16 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.07 48.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.1 100.0 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.47 135.88 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.67 99.32 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.4 m -104.33 170.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -129.94 119.65 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -106.67 139.66 20.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.772 0.32 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -79.57 106.12 11.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.77 136.88 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -93.88 155.04 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -142.31 108.99 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -91.19 101.77 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.05 144.3 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.55 133.51 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' A' ' 62' ' ' LEU . 1.3 mt -106.76 160.07 15.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 39.3 mt-30 -113.51 125.27 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -58.04 87.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.47 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -43.17 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -112.68 -50.37 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 -48.69 -19.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.68 -107.94 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 m-85 -87.61 4.38 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.55 60.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -152.01 153.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB3' ' CG ' ' A' ' 52' ' ' ASP . . . -140.09 120.3 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 26.6 m -93.96 158.61 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -136.11 176.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.16 -144.78 17.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.94 138.73 4.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -63.63 -33.96 76.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -103.11 -26.52 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -133.35 64.24 68.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.2 t-80 -52.77 -40.26 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.1 t80 -33.66 105.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.7 pp20? -33.67 -49.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t-20 -58.21 -45.78 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 119.79 22.19 3.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 129.03 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -92.54 46.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -121.89 124.2 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.46 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 35.2 mm -60.65 106.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.4 140.04 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 4.3 mm -74.92 106.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.467 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 5.5 t -94.41 9.38 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' C ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -158.83 125.91 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -132.52 97.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.9 tp -38.93 111.05 0.62 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.544 0.688 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -7.92 22.29 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.16 2.05 8.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.33 -161.8 27.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.97 19.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' CB ' HD23 ' A' ' 20' ' ' LEU . 94.9 mt -63.85 -50.57 68.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.64 167.65 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.67 -179.55 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.3 tt0 -80.08 140.18 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' GLU . 1.3 m-80 74.99 25.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 67' ' ' ASP . 23.7 p-10 -80.38 79.12 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.7 OUTLIER -35.71 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.2 t -69.93 130.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -109.95 -57.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.474 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 6.2 ttp -130.41 146.5 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' N ' ' HG2' ' A' ' 71' ' ' MET . 63.1 t -134.49 103.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 64.03 28.71 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.03 24.53 29.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.7 m -128.45 127.41 23.64 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.4 mmt -95.64 14.67 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.16 123.09 32.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t70 64.75 42.92 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.64 165.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.51 146.84 44.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 5.4 t60 -55.19 -24.39 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.1 t -84.72 -29.08 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.72 -36.46 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 17.6 tt0 -44.71 -55.23 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -54.89 -34.36 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.64 -46.44 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 6.3 ptp180 -72.12 -9.81 58.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -91.2 -48.51 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.436 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 t -46.77 119.33 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.23 -85.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -127.11 -35.88 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 21.8 mm -110.02 126.87 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 92' ' ' SER . . . -127.68 148.28 50.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 127.14 53.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.1 mt -123.06 136.39 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.472 HG22 ' CE ' ' A' ' 71' ' ' MET . 16.6 t -113.52 98.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.91 156.47 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -128.49 122.91 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -104.3 131.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -79.34 104.71 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.15 142.68 27.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -93.8 130.32 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 4.3 m-85 -110.25 109.32 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -88.8 97.87 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.09 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.458 HG21 ' CG2' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.29 137.11 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.22 141.17 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.37 128.45 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -53.44 94.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -49.95 179.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -37.64 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ARG . 26.8 mmtt -111.69 -61.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' LYS . 37.8 mmt-85 -35.9 -44.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.76 -128.95 9.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -67.5 -4.14 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.74 56.22 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CG2' ' HB1' ' A' ' 59' ' ' ALA . 7.2 pt -151.79 157.54 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -148.58 139.05 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.8 m -100.75 158.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 p -139.88 147.02 40.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.23 -177.41 36.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.69 145.36 6.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HB3' ' N ' ' A' ' 80' ' ' VAL . 4.3 ppt_? -47.47 -20.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.15 -20.59 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -130.76 60.6 54.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.5 t-80 -47.55 -38.81 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' HIS . 3.1 t80 -32.39 103.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -33.12 -53.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -57.78 -57.89 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.72 76.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -128.33 118.04 22.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 p -81.15 49.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.5 m -127.0 109.08 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mm -48.98 127.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -130.24 153.3 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 11.0 mm -84.6 103.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 t -93.14 18.94 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 3.8 m-20 -161.13 117.5 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 79.4 t -127.96 93.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' VAL . 8.8 tp -33.24 108.85 0.31 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 0.59 5.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.51 15.45 3.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.36 -155.5 10.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -41.07 4.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -55.34 -50.07 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.08 89.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 136.18 -56.21 0.7 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.83 -61.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 100' ' ' VAL . 74.9 mt -108.84 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -142.13 170.37 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.6 tt0 -63.47 139.73 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 73.05 44.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' HG11 ' A' ' 49' ' ' VAL . 17.1 m-20 -93.36 106.52 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.481 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.7 mpt_? -57.6 91.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t -62.44 123.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.97 -60.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ttm -131.27 148.62 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -138.28 107.1 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 57.77 34.83 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.03 30.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -134.07 127.41 19.1 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.131 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.02 10.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.9 mmt -103.53 13.17 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.64 123.74 33.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.5 45.22 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' N ' ' HB3' ' A' ' 36' ' ' ARG . 18.0 m -120.54 171.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.07 150.07 28.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -53.9 -38.32 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -71.08 -30.96 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.0 -45.68 80.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.26 -52.3 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 89' ' ' LEU . 3.6 p -65.73 -40.26 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 12.5 tt0 -41.92 -48.94 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -60.89 -32.49 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' VAL . 89.2 mt -73.54 -50.01 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.418 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 ptm180 -64.47 -12.2 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -87.58 -39.32 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -50.76 155.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.89 -68.39 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -132.95 -33.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 19' ' ' THR . 17.0 mm -118.16 135.41 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.75 137.17 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.21 121.41 42.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.8 mt -126.95 120.86 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.49 102.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.537 ' CG2' ' CD2' ' A' ' 63' ' ' LEU . 33.7 m -107.07 172.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -140.66 122.8 15.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -101.56 138.77 19.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.288 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.349 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -80.8 102.88 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -95.97 139.71 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -93.83 132.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 2.5 m-85 -112.52 109.89 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -96.27 98.56 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.21 154.84 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.04 126.98 55.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 62' ' ' LEU . 6.3 mt -105.16 146.08 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 50.6 mt-30 -104.44 136.75 43.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -72.34 90.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.3 t0 -53.91 -175.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.35 -72.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -112.28 -60.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -45.36 -21.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.475 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 56.98 -114.55 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CE2' ' CE ' ' A' ' 22' ' ' LYS . 23.4 m-85 -77.18 1.46 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.19 56.31 4.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -151.1 148.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.76 137.99 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.4 m -106.47 147.49 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -140.16 143.51 36.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.77 -157.03 15.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.9 146.9 4.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ptt85 -60.07 -12.35 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.72 -27.73 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.41 65.13 71.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 79.99 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.89 -44.47 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -34.53 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 41' ' ' PHE . 8.6 pt-20 -32.88 -43.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 18.4 t-20 -63.55 -58.16 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.45 72.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.5 tt0 -121.87 106.16 11.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 p -79.36 52.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.1 m -139.12 110.27 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 mm -39.3 141.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 53' ' ' VAL . 29.7 mm -76.51 107.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -94.64 12.16 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -163.96 129.45 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.5 t -133.14 93.63 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.5 105.77 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.705 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.32 2.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.2 14.24 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.473 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -118.21 -157.36 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.77 23.27 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.52 77.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.53 94.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 20' ' ' LEU . 93.9 mt -63.17 -56.87 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.58 173.08 7.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -141.56 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.59 146.21 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.452 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 19.6 m-80 71.23 29.24 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' VAL . 4.8 m-20 -84.18 86.83 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -42.11 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ASP . 43.9 t -65.86 128.83 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -109.34 -54.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.415 ' C ' HG23 ' A' ' 72' ' ' VAL . 10.3 ttm -132.88 150.93 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 71' ' ' MET . 92.7 t -143.51 105.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 61.16 30.12 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.31 29.4 22.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -133.45 126.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 0.0 111.087 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.66 7.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.425 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 10.5 mmt -100.31 13.88 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.84 126.55 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 61.53 45.75 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 173.37 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.501 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.2 t60 -53.24 -37.06 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -70.36 -28.41 65.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -73.36 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.53 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.9 -41.6 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.9 tp60 -40.17 -57.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -49.64 -40.09 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.4 -48.9 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.3 ptp180 -72.41 -15.36 61.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -84.31 -37.84 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -57.93 145.12 36.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.63 -77.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -126.14 -39.76 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 45.3 mm -107.58 134.93 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.73 133.3 44.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.94 120.5 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.77 140.3 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.92 99.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.45 165.26 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -128.41 122.62 31.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 26.3 mtm180 -105.79 133.55 20.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 73.6 m95 -78.22 104.63 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.15 140.48 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.3 131.13 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -115.96 114.99 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -100.45 99.05 9.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.458 ' CG2' HD22 ' A' ' 63' ' ' LEU . 1.9 m -124.29 155.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.52 135.97 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -113.02 139.74 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -94.98 138.38 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' ASP . 5.7 tttt -71.51 87.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 1.6 t70 -50.18 -177.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.9 p -42.43 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -112.03 -47.99 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CD ' HD12 ' A' ' 54' ' ' LEU . 26.0 mtt85 -57.97 -11.26 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.449 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 52.83 -126.4 32.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.45 -4.82 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.19 49.72 58.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.71 144.71 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -131.68 136.33 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.419 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 15.9 m -103.3 150.5 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -140.62 153.7 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.4 -153.42 18.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 157.75 7.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -17.64 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.31 -23.78 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.46 60.69 44.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 79.95 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.6 t-80 -43.95 -40.79 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' GLU . 3.3 t80 -33.87 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 9.5 pt-20 -33.86 -44.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -60.54 -53.82 52.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.22 20.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.56 130.62 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.394 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 p -98.85 46.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -124.36 113.78 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.419 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 44.7 mm -47.41 140.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -143.29 154.03 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CG2' HG23 ' A' ' 53' ' ' VAL . 32.7 mm -80.85 109.13 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 6.8 t -99.42 16.9 21.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 15.3 m-20 -163.96 120.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 82.5 t -127.93 93.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD21 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.23 106.26 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.75 4.22 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.19 17.22 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' HD21 ' A' ' 54' ' ' LEU . . . -119.74 -152.94 9.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.3 -48.25 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -42.53 91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.89 -53.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.47 -56.96 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 HD22 ' CG2' ' A' ' 18' ' ' VAL . 82.9 mt -119.87 167.0 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG3' ' NH1' ' A' ' 102' ' ' ARG . 15.0 mt-30 -132.87 178.32 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.21 149.44 38.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 64.85 30.85 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.47 92.08 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -42.01 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.3 125.42 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t -106.59 -57.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 2.9 ttp -129.98 145.46 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.473 ' N ' ' HG2' ' A' ' 71' ' ' MET . 85.3 t -134.93 103.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 64.06 28.49 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.23 22.35 35.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 m -125.92 127.77 24.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.8 mmt -95.54 15.0 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.5 123.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 65.3 41.71 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.543 ' HB ' ' CD1' ' A' ' 84' ' ' PHE . 11.3 m -116.51 172.2 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.16 149.29 23.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -51.65 -35.12 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -77.59 -24.28 49.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.543 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 54.2 t80 -75.48 -45.18 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -66.11 -37.92 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -58.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -46.74 -42.97 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.76 -54.68 44.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.68 -19.48 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -81.41 -37.58 27.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t -58.23 138.27 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.83 -82.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -124.62 -36.51 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.5 mm -113.74 130.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.81 148.43 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.22 127.01 53.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.8 mt -125.54 136.24 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.78 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.63 162.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -127.83 124.58 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 64' ' ' GLN . 39.9 mtm180 -112.74 129.39 24.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.72 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.493 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 70.8 m95 -79.09 106.39 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -94.93 145.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 m-85 -115.31 110.8 19.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.0 m -98.03 100.08 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.32 144.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.41 130.34 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 62' ' ' LEU . 5.9 mt -108.16 139.42 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 58.5 mt-30 -97.51 128.17 44.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.594 ' HE3' ' CZ ' ' A' ' 28' ' ' PHE . 5.4 ttmt -59.71 85.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.06 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.5 m -38.47 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -112.76 -50.26 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.455 ' CD ' HD12 ' A' ' 54' ' ' LEU . 3.0 mmp_? -47.61 -26.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 -79.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.594 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 25.0 m-85 -117.42 4.22 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.82 48.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 28' ' ' PHE . 2.6 pt -136.61 150.86 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.088 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.1 141.11 45.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.55 143.41 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -135.43 152.49 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.66 -143.55 15.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.19 140.07 4.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -65.37 -8.48 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.75 -27.93 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -134.02 59.97 41.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 81.55 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.508 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -45.26 -41.66 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -28.72 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 41' ' ' PHE . 4.4 tp10 -31.39 -45.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -58.5 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.8 76.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 47.7 tt0 -133.56 80.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.6 p -38.75 -38.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 m -46.01 105.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mm -41.55 143.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -147.3 146.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 53' ' ' VAL . 10.0 mm -80.1 104.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -96.02 18.55 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -164.19 124.59 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.7 t -133.99 93.79 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 HD12 ' CD ' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -37.51 106.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 4.72 2.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.73 10.64 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' HD21 ' A' ' 54' ' ' LEU . . . -111.34 -159.91 16.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.57 23.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.41 -41.98 75.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.79 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.25 -48.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD1' HD21 ' A' ' 20' ' ' LEU . 97.8 mt -66.38 -54.55 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 mt -114.68 175.67 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.46 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 7.5 pt20 -142.01 170.89 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.67 147.01 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 68' ' ' ARG . 35.4 m-80 68.25 33.59 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.46 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 25.5 m-20 -88.46 99.89 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -52.76 96.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 12.5 t -67.73 122.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.43 -53.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttm -135.19 153.05 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.6 t -141.8 105.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.82 25.02 14.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.48 23.07 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 m -127.19 126.76 24.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.703 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.58 8.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.407 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mmt -100.61 19.14 17.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.14 119.21 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 t0 66.05 42.19 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.13 173.11 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -82.69 143.81 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -50.01 -36.29 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -75.29 -26.16 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.08 -39.95 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.54 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -64.85 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.9 tp60 -40.72 -58.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -49.03 -39.98 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.0 mt -60.12 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 15.3 ptm180 -67.22 -28.68 68.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -75.44 -28.43 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -61.2 129.05 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.28 -73.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -129.12 -44.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 32.4 mm -106.45 128.62 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.65 128.24 52.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.57 118.74 33.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.8 mt -119.18 124.6 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -103.77 99.36 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.0 m -106.28 168.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -133.57 135.25 44.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.441 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 32.1 mtt180 -123.13 141.52 36.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.493 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.474 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 74.7 m95 -78.47 102.51 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.64 142.24 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -93.23 147.55 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -132.31 111.06 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -98.0 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.64 146.22 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.48 131.15 52.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 62' ' ' LEU . 3.8 mt -108.9 158.25 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 35.6 mt-30 -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.591 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.92 91.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.7 t70 -56.54 174.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.8 p -54.58 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -110.85 -18.16 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 mmp_? -112.64 61.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -25.11 -91.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 9.7 m-85 -100.87 4.95 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.08 53.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pt -144.03 147.7 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -133.42 131.13 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 48' ' ' ILE . 20.0 m -99.14 146.06 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -131.55 128.37 39.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.94 -148.47 20.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.05 116.78 1.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -47.38 -24.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.73 -27.9 9.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -134.71 68.8 72.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 81.88 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.506 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -43.52 -42.89 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -29.74 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.2 mp0 -30.95 -48.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.02 -56.75 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.0 80.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 3.1 tp10 -134.18 120.37 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -87.22 51.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.8 122.1 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 32' ' ' VAL . 41.5 mm -55.96 107.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.2 147.83 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 4.9 mm -84.0 103.73 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.0 t -97.16 17.84 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 4.7 m-20 -162.59 120.97 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 54' ' ' LEU . 57.1 t -131.91 93.78 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.5 tp -33.33 113.09 0.4 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.56 18.88 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.39 10.69 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -104.19 -164.7 24.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -26.3 27.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -71.7 -33.9 69.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -52.37 88.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.32 -48.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' CB ' HD21 ' A' ' 20' ' ' LEU . 98.8 mt -66.8 -48.13 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 mt -120.41 169.83 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -136.14 177.15 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -81.65 140.33 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 10.3 m-80 71.25 36.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' OD1' ' CG1' ' A' ' 50' ' ' ILE . 34.0 p-10 -91.32 82.85 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 1.2 mpp_? -42.17 96.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ASP . 62.8 t -64.92 149.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -125.41 -44.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttm -143.12 149.37 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.13 106.63 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 60.75 26.78 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.73 30.55 11.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.421 HG23 ' NE2' ' A' ' 88' ' ' GLN . 32.2 m -134.7 126.08 17.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 111.144 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.89 8.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.8 mmt -99.77 18.71 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -93.77 125.67 38.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 61.34 43.67 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.28 166.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.8 146.39 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -47.97 -45.79 31.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 t -61.55 -35.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.05 -43.49 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.23 77.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.9 p -65.36 -42.57 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' VAL . 3.5 tp60 -36.63 -59.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.421 ' NE2' HG23 ' A' ' 75' ' ' THR . 75.4 mm-40 -48.41 -38.31 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 27.0 mt -63.27 -53.44 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 10.8 ptm180 -64.73 -29.01 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.71 -34.62 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t -57.74 133.22 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.24 -69.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -133.36 -43.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.416 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.8 mm -106.78 137.79 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.48 137.33 49.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 109.84 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.9 133.59 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.67 98.97 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.9 m -104.81 165.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -129.22 132.7 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -121.99 127.73 25.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -80.52 103.11 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -94.97 135.9 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -93.7 132.22 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 1.7 m-85 -114.9 109.15 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -95.38 97.9 10.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.51 159.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.59 131.53 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.7 mt -106.63 145.83 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 62.6 mt-30 -102.53 129.63 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 28' ' ' PHE . 5.8 ttmt -62.0 90.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 12.1 t0 -57.95 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -57.75 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -109.81 -11.61 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' O ' ' C ' ' A' ' 27' ' ' GLY . 25.9 mmt180 -114.07 51.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -16.49 -94.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.519 ' CZ ' ' CE ' ' A' ' 22' ' ' LYS . 8.0 m-85 -96.06 8.42 43.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.32 48.25 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 28' ' ' PHE . 3.2 pt -140.79 141.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -126.66 130.52 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 8.7 m -98.43 148.46 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -138.13 147.32 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.8 -162.49 13.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.55 145.16 4.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -62.2 -10.49 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -122.96 -25.49 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -131.16 60.39 52.59 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.28 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.3 t-80 -48.45 -43.44 34.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -33.25 101.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.1 pt-20 -34.5 -42.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -59.9 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 121.02 12.1 6.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.2 tp10 -72.06 117.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.1 p -85.62 49.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -119.95 125.66 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.434 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 26.7 mm -62.7 102.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -112.24 144.76 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 53' ' ' VAL . 20.9 mm -74.41 104.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -95.75 19.74 10.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 29.3 t70 -164.37 120.04 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 50' ' ' ILE . 70.8 t -135.02 93.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 tp -40.26 111.62 0.77 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.315 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.3 17.85 6.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -157.76 10.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -44.29 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -56.54 -43.22 79.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -43.39 92.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.78 -50.69 0.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 20' ' ' LEU . 37.9 mt -68.27 -36.97 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -136.41 162.82 31.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 27.0 mt-30 -131.95 177.35 7.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.34 141.39 43.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 72.03 35.41 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 6.1 m-20 -86.39 84.72 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.0 mpt_? -37.84 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 58.8 t -68.49 124.77 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.33 -54.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.403 ' C ' HG21 ' A' ' 72' ' ' VAL . 12.2 ttm -134.11 153.49 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG21 ' C ' ' A' ' 71' ' ' MET . 96.5 t -143.68 105.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 62.64 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.92 24.09 23.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.466 HG22 ' CE ' ' A' ' 77' ' ' MET . 86.1 m -126.7 130.6 23.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.73 8.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.472 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 16.4 mmt -103.09 17.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -93.09 126.72 38.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 59.85 46.65 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.09 170.45 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -81.13 149.57 29.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.9 t60 -55.05 -35.97 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -72.65 -25.87 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -75.42 -41.67 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.41 83.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.33 -36.84 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.4 tp-100 -42.75 -57.78 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -49.08 -39.21 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.26 -50.65 72.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.9 ptm85 -68.97 -26.24 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -71.9 -38.17 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -53.31 145.5 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.06 -73.88 0.97 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -127.85 -44.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.422 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 20.9 mm -111.12 125.64 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.82 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.89 113.54 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.14 128.09 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.95 99.73 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m -107.75 166.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -131.64 123.56 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.542 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -102.77 127.84 29.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.86 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.309 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 66.0 m95 -78.93 105.85 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -95.13 143.13 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 9.2 mt-30 -93.84 156.03 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 17.4 m-85 -141.93 110.12 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -93.88 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -124.32 147.48 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.74 131.82 53.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.1 mt -108.93 159.24 16.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mt-30 -115.8 132.0 56.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.0 89.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.502 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.0 t0 -55.0 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 m -50.31 -71.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -35.76 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' O ' ' C ' ' A' ' 27' ' ' GLY . 74.9 mmt-85 -85.55 39.28 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.662 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -2.05 -104.32 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 5.2 m-85 -84.87 1.82 45.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ARG . . . 44.24 55.49 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.415 ' HB ' ' CD1' ' A' ' 50' ' ' ILE . 1.1 pt -144.62 148.78 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -131.74 139.3 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG21 ' CE1' ' A' ' 82' ' ' HIS . 14.7 m -105.74 142.88 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 143.7 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.32 -158.42 21.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.31 170.18 22.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 37' ' ' ASP . 13.3 ptm180 -63.4 -39.86 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 7.9 m-20 -98.54 -13.42 20.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.68 58.89 39.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 79.68 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -48.08 -43.24 30.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -35.89 98.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.5 pt-20 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' PHE . 7.0 m120 -63.93 -58.06 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.11 31.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.58 116.18 25.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -84.93 46.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -126.08 116.43 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm -50.16 135.88 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -138.36 149.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' CD1' ' HB ' ' A' ' 30' ' ' ILE . 17.8 mm -82.5 98.93 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -88.93 19.99 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 9.4 t70 -162.58 122.68 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.0 t -134.98 94.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -38.76 112.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.39 14.73 6.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.33 -161.08 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -34.8 13.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.01 -37.3 87.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -48.75 89.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.02 -51.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 20' ' ' LEU . 51.8 mt -63.97 -49.57 72.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.56 171.57 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -138.03 167.2 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.45 134.8 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 72.62 37.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ARG . 43.4 p-10 -83.79 84.85 7.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 3.8 mpt_? -36.24 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 90.7 t -70.91 141.29 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.94 -54.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.407 ' C ' HG23 ' A' ' 72' ' ' VAL . 16.4 ttm -136.47 151.55 49.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 71' ' ' MET . 98.7 t -141.87 107.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 58.85 25.78 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.97 24.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.456 HG21 ' CE ' ' A' ' 77' ' ' MET . 89.6 m -125.18 126.79 25.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.95 10.6 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.471 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 10.7 mmt -105.17 14.78 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.15 118.67 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 66.81 44.35 2.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.88 164.6 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.89 141.01 39.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.5 t60 -42.27 -47.5 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -56.8 -44.12 81.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.1 -35.71 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.5 -52.85 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 87' ' ' GLN . 2.7 p -64.08 -38.89 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.0 tp60 -40.37 -58.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -49.47 -41.18 39.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 mt -59.53 -52.74 64.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 7.4 ptm180 -65.19 -30.62 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -71.12 -30.52 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 t -62.53 130.51 45.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.09 -83.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -124.33 -36.28 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 30.2 mm -113.09 134.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.33 151.1 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.24 107.64 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.4 mt -110.21 142.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 t -118.51 98.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.405 HG11 ' CG ' ' A' ' 67' ' ' ASP . 20.1 m -100.09 -177.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -147.18 130.92 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 137.66 20.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.634 2.222 . . . . 0.0 112.389 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -78.82 109.06 12.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.8 135.02 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -94.55 137.98 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -124.51 111.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -98.06 103.95 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.38 155.47 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.58 133.4 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.3 mt -110.02 149.94 29.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' GLY . 71.7 mt-30 -103.7 124.03 48.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.02 91.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.506 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.2 t70 -61.51 174.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -45.62 -64.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -111.73 -40.13 4.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' GLY . 9.2 mpt_? -85.95 49.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.602 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -15.94 -73.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLY . 13.8 m-85 -113.06 10.71 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.59 57.05 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -145.68 143.67 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -125.94 124.57 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 82' ' ' HIS . 25.3 m -96.03 152.1 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -147.29 141.15 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.61 -152.88 17.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 152.73 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -64.8 -20.36 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.4 -21.28 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -133.4 57.62 27.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.711 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 89.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.0 t-80 -59.8 -40.79 89.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.9 t80 -31.15 104.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.6 tt0 -29.6 -53.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -53.74 -60.74 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.61 29.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.84 131.16 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.9 p -100.41 49.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -130.5 168.77 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 HG13 ' CB ' ' A' ' 85' ' ' ALA . 30.3 mm -99.77 110.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.33 150.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.1 mm -84.01 103.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -94.15 18.08 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 21.7 t0 -163.76 123.77 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' LEU . 65.9 t -135.02 93.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 53' ' ' VAL . 6.8 tp -32.13 115.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -10.52 28.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.65 35.17 2.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -128.86 -158.47 9.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.82 11.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -67.7 -37.45 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -49.21 90.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.48 -51.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 20' ' ' LEU . 94.4 mt -66.8 -44.62 80.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.7 mt -125.92 165.77 18.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 15.4 mt-30 -137.94 163.35 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.88 141.32 58.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 74.93 27.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 7.4 m-20 -80.13 76.93 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -35.94 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 48.4 t -67.81 129.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -111.0 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 ttm -134.19 153.12 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.78 104.96 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 55.01 35.03 23.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 22.76 40.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.44 HG21 ' NE2' ' A' ' 88' ' ' GLN . 22.4 m -122.56 124.24 26.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 125.2 11.9 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.435 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 6.8 mmt -108.52 15.19 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.12 122.9 35.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 64.75 43.96 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.03 174.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.6 142.75 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.7 t60 -47.97 -40.28 21.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.8 p -67.19 -32.69 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -67.73 -39.59 84.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 48' ' ' ILE . . . -64.33 -46.29 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 87' ' ' GLN . 2.8 p -68.95 -41.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' N ' HG11 ' A' ' 86' ' ' VAL . 2.8 tp60 -40.38 -58.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.1 mm-40 -49.84 -41.19 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.06 -53.04 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -66.66 -22.65 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.81 -34.44 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -56.23 124.35 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.59 -80.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -130.71 -49.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.3 mm -103.34 133.64 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.51 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.16 104.94 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -102.87 137.25 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 t -112.29 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.415 ' CB ' ' HB3' ' A' ' 67' ' ' ASP . 3.8 m -106.25 154.41 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -122.97 124.44 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -106.56 134.87 19.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.4 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.403 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 71.0 m95 -82.09 105.13 12.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.59 139.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -93.8 135.14 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.414 ' CE1' ' HD2' ' A' ' 102' ' ' ARG . 5.5 m-85 -120.92 110.61 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -103.55 99.27 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 62' ' ' LEU . 2.9 m -117.35 156.3 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.82 128.74 55.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CD2' HD11 ' A' ' 62' ' ' LEU . 2.6 mt -106.99 151.06 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' GLY . 70.4 mt-30 -105.51 125.83 51.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -59.05 92.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 18.5 t70 -63.47 169.18 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -39.33 -66.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -111.57 -42.21 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -82.41 47.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -14.67 -71.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.74 5.35 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.8 49.21 3.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -139.85 156.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -138.62 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 HG23 ' CE1' ' A' ' 82' ' ' HIS . 30.2 m -104.53 150.92 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -143.04 141.11 31.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.5 -151.3 17.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.15 141.16 3.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -55.63 -13.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.7 -20.52 7.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -132.75 58.56 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.377 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.1 t-80 -42.21 -45.67 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -33.12 100.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.8 pp20? -34.03 -53.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 16.4 t30 -56.68 -57.64 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.42 76.82 0.25 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -131.67 80.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.1 p -42.11 -38.1 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -40.7 112.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 HG13 ' CB ' ' A' ' 85' ' ' ALA . 45.9 mm -52.91 126.59 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -126.09 152.23 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -85.57 103.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -94.47 19.01 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 30.8 t0 -162.36 122.21 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.4 t -135.0 93.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 26' ' ' ARG . 6.8 tp -37.07 114.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.61 21.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.86 30.73 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.95 -161.62 11.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -33.38 16.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.276 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.58 -36.33 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.77 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.69 -46.36 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.459 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 34.8 mt -71.33 -35.11 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.4 mt -133.04 165.82 23.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -135.82 167.82 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.0 144.98 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 65.41 34.91 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' ARG . 52.0 p-10 -83.27 82.44 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.1 mpt_? -34.21 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ASP . 60.0 t -70.66 127.29 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 t -108.11 -57.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 ttm -132.89 153.8 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.3 t -139.82 104.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 58.96 30.59 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.65 22.86 32.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.4 m -125.76 127.51 24.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 124.8 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.6 mmt -106.72 16.15 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.67 121.94 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 66.22 45.21 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.5 m -123.48 166.95 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.34 147.6 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.529 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.8 t60 -50.82 -36.15 35.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -70.13 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.89 -41.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' CB ' HG13 ' A' ' 48' ' ' ILE . . . -65.29 -50.02 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.86 -38.29 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -42.79 -57.2 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -50.18 -40.44 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.73 -48.84 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.445 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.9 ptp180 -71.21 -20.95 62.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -80.16 -42.74 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -45.86 126.13 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.17 -75.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -130.93 -46.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.7 mm -105.95 138.35 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.0 154.27 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.74 104.44 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.6 mt -102.61 135.42 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.7 t -110.18 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -105.16 168.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -135.81 120.91 18.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 10.5 mtt180 -105.32 131.48 21.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.403 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -78.62 106.74 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.94 142.11 27.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -94.03 138.13 32.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -124.28 108.27 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 m -95.24 98.58 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.27 148.08 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.75 132.85 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 63' ' ' LEU . 5.6 mt -107.57 149.48 27.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 49.8 mt-30 -112.83 124.4 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -56.48 96.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 8.7 t0 -51.31 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.4 m -42.27 -76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -111.98 -57.93 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' CD ' HD11 ' A' ' 54' ' ' LEU . 13.6 mtt-85 -44.08 -38.74 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 79.77 -141.61 23.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -50.06 -18.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.59 52.56 44.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.1 pt -142.68 158.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.74 133.11 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 m -103.03 150.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -140.17 144.58 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -179.62 20.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.47 157.95 16.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -68.28 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.21 -27.64 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.83 58.82 41.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.84 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.5 t-80 -53.53 -37.02 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -32.6 106.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -32.49 -53.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -59.27 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 125.44 21.53 2.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.422 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.08 111.37 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.6 p -82.38 46.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.5 m -128.56 124.58 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.54 126.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -131.37 154.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mm -86.38 98.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -89.33 13.81 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -156.42 125.48 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.3 t -135.05 93.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' CD2' ' HA3' ' A' ' 57' ' ' GLY . 9.2 tp -33.51 112.09 0.39 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.42 13.3 5.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -111.11 -159.28 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -37.74 8.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -57.29 -46.12 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -48.13 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 127.09 -52.2 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.84 -46.76 70.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 20' ' ' LEU . 79.3 mt -124.99 167.28 14.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -130.37 179.68 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.18 144.87 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.75 40.07 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.491 ' OD2' ' CG2' ' A' ' 100' ' ' VAL . 11.0 t0 -89.54 90.35 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.5 mpt_? -37.35 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 t -78.02 131.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.34 -58.51 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.471 ' CE ' HG23 ' A' ' 99' ' ' VAL . 9.3 ttp -130.01 147.4 51.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.468 ' N ' ' HG2' ' A' ' 71' ' ' MET . 69.4 t -135.29 104.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 64.19 27.93 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.1 26.15 24.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 m -130.11 126.84 22.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt -95.41 13.57 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.88 125.51 34.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 t70 65.35 42.04 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -122.78 170.56 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.01 153.05 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -39.04 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -67.57 -29.15 68.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -74.12 -41.86 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.67 80.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.39 -36.1 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -43.45 -57.14 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -48.35 -42.25 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.32 -54.19 49.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.7 ptm85 -65.37 -26.04 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -74.6 -40.95 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -53.68 153.51 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.35 -90.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -112.07 -37.41 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 46.0 mm -115.11 133.48 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.58 138.8 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.55 132.12 47.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 99' ' ' VAL . 82.3 mt -131.5 136.87 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 71' ' ' MET . 20.9 t -113.45 98.85 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.491 ' CG2' ' OD2' ' A' ' 67' ' ' ASP . 33.9 m -100.88 169.66 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -138.01 118.07 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -105.96 135.99 19.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.785 0.326 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.431 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 53.3 m95 -78.83 113.13 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -99.3 143.18 29.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -93.97 148.36 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -132.57 119.64 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -104.86 100.03 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.93 142.62 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.83 131.06 53.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 62' ' ' LEU . 5.4 mt -107.06 142.84 36.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 41.3 mt-30 -99.08 131.65 44.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -64.85 89.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 9.3 t70 -55.44 166.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.0 p -44.56 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -110.03 -21.59 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.8 mmt180 -106.49 58.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -24.41 -90.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 29' ' ' GLY . 9.6 m-85 -101.6 6.04 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 32.89 50.7 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.414 HG12 ' CB ' ' A' ' 28' ' ' PHE . 7.6 pt -141.62 165.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -148.27 142.46 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG13 ' CG2' ' A' ' 48' ' ' ILE . 9.1 m -110.07 149.2 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 m -144.59 133.71 22.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.92 176.63 15.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.23 170.92 35.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -72.34 -12.69 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.85 -27.64 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -133.61 66.26 73.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.6 Cg_endo -69.73 80.95 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -37.18 -54.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 49' ' ' VAL . 1.6 m-85 -32.75 117.26 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -55.81 -28.24 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -70.35 -26.71 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.71 20.9 8.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 14.1 tt0 -77.1 125.75 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -101.96 50.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -119.54 132.96 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.491 ' CD1' ' N ' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -65.38 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.85 152.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 3.0 mm -84.53 106.88 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.438 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.5 t -96.86 17.53 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 3.7 m-20 -162.14 121.89 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 54' ' ' LEU . 45.4 t -134.45 94.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.5 tp -33.76 106.75 0.28 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.8 Cg_endo -69.73 0.16 6.02 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.55 9.62 3.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -110.58 -156.89 15.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.86 19.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.61 -45.33 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -46.18 89.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.49 -52.91 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 20' ' ' LEU . 84.3 mt -63.89 -51.1 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.5 mt -119.92 174.99 6.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -141.87 169.14 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.16 145.59 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 66.02 37.88 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 31.5 p-10 -91.91 91.07 7.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -45.18 100.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 48' ' ' ILE . 12.7 t -76.17 126.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.61 -47.47 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ttm -137.75 148.54 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -141.98 109.92 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 59.76 27.6 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 26.9 24.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -132.98 130.05 21.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.549 0.69 . . . . 0.0 111.159 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 127.98 15.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.404 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.3 mmt -106.29 22.38 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -96.26 124.57 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.9 41.07 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.2 m -114.94 171.32 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.8 147.01 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -49.62 -41.68 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -69.28 -29.0 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.415 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.4 t80 -69.82 -44.66 69.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' CG1' ' A' ' 48' ' ' ILE . . . -62.73 -47.94 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.6 p -64.7 -42.92 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -38.72 -58.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -46.63 -40.38 12.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.24 -54.57 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -65.98 -15.84 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -85.13 -31.0 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -63.62 133.68 54.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.84 -87.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -114.6 -48.01 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 21.0 mm -101.88 128.85 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.08 143.51 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.0 121.42 44.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.6 mt -127.49 126.76 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.76 98.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.5 m -99.06 174.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -139.35 133.39 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -122.72 138.68 29.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 63.0 m95 -78.94 106.17 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.99 134.83 35.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -93.37 140.06 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.23 112.19 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -101.42 101.74 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.36 153.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.13 128.74 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 62' ' ' LEU . 2.7 mt -109.61 154.04 23.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 66.7 mt-30 -107.67 137.6 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -72.09 92.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 15.6 t0 -56.21 -175.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -66.29 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -14.01 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' ' C ' ' A' ' 27' ' ' GLY . 27.4 mmt180 -121.85 64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.527 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . -26.89 -93.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 18.1 m-85 -95.28 10.92 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.8 59.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -147.57 158.81 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -143.42 128.45 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 82' ' ' HIS . 18.3 m -96.95 144.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -134.14 141.14 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.75 -158.91 14.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.15 144.44 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -45.11 -34.98 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.94 -14.29 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -133.25 60.69 50.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 79.91 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.8 t-80 -45.86 -41.59 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -31.41 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.5 tt0 -31.98 -45.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.01 -66.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.84 71.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -123.76 114.35 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -81.6 54.0 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 m -132.67 121.94 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.418 ' CG2' HG12 ' A' ' 32' ' ' VAL . 43.5 mm -58.53 120.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.43 150.04 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.0 mm -82.98 105.33 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.454 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 1.3 t -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 2.3 m-20 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.5 t -130.84 94.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' VAL . 8.0 tp -32.31 109.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.74 21.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.03 31.42 2.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -129.96 -158.99 9.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -31.73 19.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -66.88 -43.89 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -48.75 92.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.56 -51.6 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 20' ' ' LEU . 62.7 mt -69.02 -49.82 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.05 170.65 8.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -141.66 169.61 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 138.6 54.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 73.88 31.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ARG . 49.7 p-10 -83.67 78.81 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -34.89 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 130.93 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -109.72 -51.58 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.37 152.83 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.27 104.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 60.61 29.1 18.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.81 23.5 30.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -127.08 126.94 24.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.04 11.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.8 mmt -106.48 14.8 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.11 123.98 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 63.32 46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.41 168.18 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.71 144.71 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.521 ' CE1' HG23 ' A' ' 32' ' ' VAL . 3.1 t60 -44.88 -48.26 11.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.0 p -55.96 -42.8 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.43 -38.06 85.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.07 12.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 87' ' ' GLN . 3.2 p -60.71 -35.42 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.7 -58.26 2.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -50.55 -40.94 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.84 -53.55 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 6.9 ptm180 -63.12 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -70.07 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -51.86 130.98 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.54 -80.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -122.89 -37.72 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.442 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 40.2 mm -113.94 141.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.98 134.68 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.68 122.16 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.7 mt -118.71 141.5 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.75 98.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -98.99 -176.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -153.18 122.7 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -113.09 123.82 32.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 80.0 m95 -78.06 101.95 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -96.01 144.66 26.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.29 148.72 21.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -134.71 107.92 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -88.14 98.97 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.27 146.67 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.09 129.57 49.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mt -108.11 143.83 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -109.26 125.19 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -55.71 101.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.53 -177.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 m -41.48 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -111.98 -57.08 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -41.01 -46.37 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.21 -129.69 9.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.57 -4.77 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.42 55.22 6.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 20.1 pt -149.11 162.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -148.8 146.68 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 ' CG2' ' A' ' 48' ' ' ILE . 18.7 m -115.42 152.12 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.58 145.16 28.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 48' ' ' ILE . . . 83.59 106.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA2' ' CD1' ' A' ' 48' ' ' ILE . . . -111.34 -156.77 14.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -89.43 -8.61 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.419 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.5 m-20 -121.75 -28.19 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -127.55 57.21 23.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.86 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 1.3 t-80 -49.57 -35.33 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' GLU . 2.0 t80 -33.93 109.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.3 pp20? -33.1 -54.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.67 -74.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.92 32.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' OE1' ' NE ' ' A' ' 68' ' ' ARG . 8.8 tt0 -77.47 113.2 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -91.61 47.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.5 ' CB ' ' HD2' ' A' ' 68' ' ' ARG . 18.1 m -123.17 99.21 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CD1' ' HA2' ' A' ' 35' ' ' GLY . 5.6 mm -34.02 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.64 145.64 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' CG2' HG22 ' A' ' 53' ' ' VAL . 3.3 mm -81.49 106.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -100.18 17.85 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 5.5 m-20 -157.08 115.85 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.8 t -131.3 93.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD21 ' CA ' ' A' ' 57' ' ' GLY . 4.0 tp -33.5 122.09 0.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.8 24.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.98 23.08 2.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.478 ' CA ' HD21 ' A' ' 54' ' ' LEU . . . -107.56 -164.47 21.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.02 21.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.317 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -88.16 6.46 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 2.2 p-10 -80.04 42.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.87 -28.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.4 mt -80.73 -46.09 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.55 171.74 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.425 ' CD ' ' HD3' ' A' ' 102' ' ' ARG . 7.3 pt20 -134.76 169.15 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.37 149.01 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 62.63 31.19 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 100' ' ' VAL . 7.6 t0 -91.0 116.58 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.551 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 mmt85 -65.95 109.85 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 61.4 t -77.44 127.59 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.91 -55.09 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttm -132.26 154.49 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -145.38 105.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 61.42 25.39 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 26.62 16.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.445 HG23 ' NE2' ' A' ' 88' ' ' GLN . 91.5 m -129.11 128.81 23.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 88' ' ' GLN . 9.3 mmt -100.33 11.37 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -87.88 121.77 30.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 t0 67.01 44.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.59 171.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' ASP . 44.5 mt -83.57 139.75 32.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.468 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.5 t60 -45.4 -32.82 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 m -73.98 -37.07 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.58 -40.65 89.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' CB ' HG13 ' A' ' 48' ' ' ILE . . . -60.07 -50.71 72.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' GLN . 2.6 p -62.36 -42.04 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER -35.91 -63.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' ' CE ' ' A' ' 77' ' ' MET . 93.0 mm-40 -37.47 -39.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.3 mt -61.69 -56.03 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 2.5 ptm180 -60.92 -40.4 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -58.9 -61.81 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 1.9 t -37.89 138.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.09 -74.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -132.91 -35.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.7 mm -111.85 134.14 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.44 145.59 51.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.91 92.64 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.2 mt -93.64 134.74 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.35 98.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 67' ' ' ASP . 27.8 m -100.73 176.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 68' ' ' ARG . 35.7 pttt -139.46 120.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HD3' ' CD ' ' A' ' 64' ' ' GLN . 18.0 mtt180 -110.83 134.84 20.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.2 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.826 0.345 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -79.15 104.88 10.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.8 149.88 21.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 7.7 mt-30 -93.84 158.75 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 16.2 m-85 -140.47 107.61 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -96.83 99.94 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.43 160.93 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.9 133.19 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 62' ' ' LEU . 5.3 mt -111.26 143.04 42.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -101.37 134.34 44.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -65.58 91.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.73 -179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -39.01 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLY . 38.7 mmtt -111.87 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' LYS . 41.1 mmt-85 -34.24 -35.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 78.95 -117.65 4.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLY . 35.2 m-85 -81.73 10.06 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.94 45.78 1.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.1 pt -144.49 150.24 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -138.04 135.61 36.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 48' ' ' ILE . 15.8 m -96.44 157.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 p -143.8 165.62 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.21 -153.72 36.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.85 165.57 13.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.96 -26.51 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -106.93 -19.68 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.71 57.73 30.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 79.54 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -89.17 74.41 8.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -134.88 25.74 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 39.87 24.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' PHE . 9.3 t30 -134.95 -45.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.3 28.94 3.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 127.75 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 p -97.64 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 162.25 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.46 ' CG2' HG12 ' A' ' 32' ' ' VAL . 33.0 mm -99.52 118.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 1.5 m -117.93 168.29 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.9 mm -92.75 106.69 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -97.58 15.49 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 9.2 t70 -160.96 122.55 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' LEU . 87.3 t -132.27 93.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD2' ' HA3' ' A' ' 57' ' ' GLY . 7.7 tp -35.26 109.85 0.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.6 26.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.13 31.27 2.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -130.46 -155.09 8.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.85 -52.4 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -38.5 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.26 -49.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 20' ' ' LEU . 15.3 mt -69.65 -52.39 26.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 20' ' ' LEU . 25.6 mt -116.74 169.82 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.429 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 5.2 pt20 -140.04 161.34 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 2.4 tt0 -66.22 138.67 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.444 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 2.1 m120 74.98 38.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 26.3 m-20 -98.1 93.16 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -41.8 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASP . 43.0 t -68.46 106.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -82.67 -62.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 14.9 ttp -127.37 150.08 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.494 ' N ' ' HG2' ' A' ' 71' ' ' MET . 99.6 t -136.79 105.21 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 61.21 29.48 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.75 29.41 18.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -131.66 127.3 21.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.9 mmt -99.91 15.42 27.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.65 120.16 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.1 43.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.512 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 16.6 m -119.24 175.0 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' PHE . 93.4 mt -91.15 144.52 25.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -42.91 -45.58 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.5 p -64.6 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.512 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 86.9 t80 -64.43 -40.17 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 48' ' ' ILE . . . -64.52 -50.75 66.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.96 -36.67 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.99 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -52.17 -38.99 59.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.19 -55.18 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.2 ptm85 -60.88 -33.78 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.86 -50.75 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -46.06 134.83 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.17 -85.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -122.94 -37.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 mm -107.35 137.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.26 147.34 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.13 136.15 50.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 99' ' ' VAL . 51.8 mt -130.11 136.98 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.485 HG21 ' CE ' ' A' ' 71' ' ' MET . 19.6 t -114.35 99.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 31.2 m -109.39 160.86 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -125.27 119.37 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -106.21 139.71 20.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.855 0.359 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 59.3 m95 -78.71 104.44 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.03 141.7 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.86 136.52 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.88 108.8 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 m -96.54 98.0 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.75 156.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.77 124.93 51.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 62' ' ' LEU . 7.0 mt -99.49 147.85 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -112.43 128.14 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -58.59 115.71 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' SER . 5.2 t70 -84.24 -178.55 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 62.2 m -38.59 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -112.21 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CD ' HD11 ' A' ' 54' ' ' LEU . 32.7 mmt180 -44.76 -42.72 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 -90.23 1.36 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -108.08 4.83 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.29 51.19 2.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -143.39 148.22 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -136.51 125.72 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 29.5 m -99.5 154.74 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -144.53 141.32 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.68 -146.41 17.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.51 131.56 3.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -48.11 -19.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -110.13 -22.9 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 18.5 t30 -131.03 60.43 53.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 80.48 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.7 t-80 -48.93 -37.67 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -35.2 99.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.5 pt-20 -31.41 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 25.2 t-20 -62.41 -60.03 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.05 30.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.74 126.01 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -86.07 48.23 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.3 m -115.67 143.06 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 14.1 mm -84.9 111.78 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -117.37 157.2 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -86.56 105.79 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.1 t -95.65 16.98 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 6.3 m-20 -163.43 120.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -128.58 93.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD21 ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -34.22 116.61 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.31 20.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.512 ' N ' HD21 ' A' ' 54' ' ' LEU . . . -108.97 -165.28 20.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -24.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.34 8.92 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.7 p-10 -82.45 42.91 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.15 -32.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 20' ' ' LEU . 13.6 mt -77.97 -36.84 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.62 161.62 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 10.1 pt20 -131.86 166.15 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.75 144.84 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 70.94 30.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 69' ' ' VAL . 9.8 m-20 -79.12 70.49 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.51 ' NH2' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -32.19 94.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' ASP . 38.5 t -67.65 121.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -101.88 -54.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 ttm -133.08 148.38 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -138.36 104.92 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 60.45 28.9 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.55 24.78 27.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.455 HG22 ' NE2' ' A' ' 88' ' ' GLN . 25.6 m -127.15 126.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.462 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 10.7 mmt -98.82 13.39 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -92.96 122.49 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t0 67.34 42.18 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -121.12 166.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.2 146.52 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -49.87 -45.29 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -71.14 -37.44 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.11 -49.38 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -66.04 -36.09 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.0 tp60 -43.58 -57.71 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.455 ' NE2' HG22 ' A' ' 75' ' ' THR . 76.1 mm-40 -50.73 -37.34 41.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 mt -68.15 -49.49 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.9 ptp180 -69.99 -19.31 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -81.21 -45.53 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -47.66 138.43 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.29 -73.02 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -133.78 -44.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.22 129.64 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.24 151.26 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.74 110.58 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.14 139.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.66 98.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -106.87 165.22 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -107.25 135.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 77.5 m95 -78.57 101.96 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 10.5 mt-10 -95.24 142.02 28.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.67 134.23 35.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.16 123.07 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.6 m -105.61 97.7 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' HD22 ' A' ' 63' ' ' LEU . 2.5 m -123.84 152.49 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.64 132.73 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -107.25 147.31 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 55.5 mt-30 -105.49 131.77 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -66.01 86.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 2.8 t70 -55.5 164.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.6 p -35.63 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -29.93 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.641 ' O ' ' C ' ' A' ' 27' ' ' GLY . 33.3 mmt180 -90.36 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -12.92 -95.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.02 4.01 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 36.37 58.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -147.45 153.62 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -134.74 121.55 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 50' ' ' ILE . 34.6 m -98.28 155.35 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -146.48 148.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -151.28 19.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.24 125.92 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 11.6 ptm180 -55.2 -17.1 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 -27.89 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -132.6 64.78 72.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.0 t-80 -50.13 -43.39 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.2 t80 -30.87 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.4 tt0 -31.21 -57.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.04 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.69 73.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' THR . 22.5 tt0 -134.99 83.31 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' GLU . 72.3 p -32.93 -41.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -38.99 130.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.27 140.84 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.15 140.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.438 ' CG2' HG23 ' A' ' 53' ' ' VAL . 25.2 mm -78.34 97.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -87.67 20.23 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 31.4 t0 -164.19 122.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' CG2' ' A' ' 50' ' ' ILE . 72.0 t -134.43 93.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.6 tp -38.37 114.77 0.81 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.19 34.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.22 16.95 8.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.47 -163.02 14.38 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.04 24.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.9 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.48 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.64 -53.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -44.48 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 18' ' ' VAL . 87.4 mt -130.27 169.84 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 3.1 pt20 -135.95 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 3.5 tt0 -66.34 146.82 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.66 40.81 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' VAL . 2.4 m-20 -80.53 91.27 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' ASP . 36.2 t -62.38 122.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.07 -50.47 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttm -136.5 150.68 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.54 108.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 53.05 32.48 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.74 25.57 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 m -127.23 128.75 24.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.76 10.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.449 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mmt -104.84 11.38 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.88 122.91 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.1 44.81 4.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.4 m -122.0 162.42 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.11 148.11 46.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.87 -27.41 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 t -77.38 -35.93 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.25 -44.54 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.33 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 89' ' ' LEU . 5.4 p -68.28 -43.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -40.06 -51.09 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.2 -33.12 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' VAL . 43.6 mt -70.6 -47.84 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.5 ptm85 -67.86 -15.32 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -85.01 -38.2 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -53.39 123.38 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.18 -76.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -131.49 -36.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.6 mm -111.6 132.17 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.24 140.71 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.1 110.2 21.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.9 mt -113.88 134.17 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.46 99.9 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.4 HG22 ' CD2' ' A' ' 63' ' ' LEU . 18.8 m -107.68 165.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 24.6 pttt -132.04 123.16 26.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.418 HH11 ' CG ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -103.32 127.3 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.827 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -78.93 102.87 8.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.98 139.71 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.58 130.1 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-85 -117.67 109.92 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.2 m -101.14 98.54 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.7 148.55 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.31 129.99 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 62' ' ' LEU . 6.8 mt -110.66 147.52 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.11 151.09 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -81.49 93.45 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -56.67 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -44.32 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' ARG . 38.6 mmtt -112.25 -57.68 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' CD ' HD13 ' A' ' 54' ' ' LEU . 29.9 mmt-85 -32.69 -39.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 83.98 -100.76 2.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' GLY . 42.1 m-85 -106.46 10.6 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.06 50.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.5 pt -147.6 142.94 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -134.24 133.38 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 18.9 m -97.4 154.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.2 p -132.57 172.53 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.45 -165.25 54.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.57 143.97 3.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -51.78 -34.45 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.06 -27.6 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -134.96 69.47 70.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.0 t-80 -43.07 -48.67 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -31.11 100.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 43' ' ' ASN . 8.1 pt-20 -35.09 -41.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 24.0 t30 -60.76 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.69 109.61 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.0 p -76.09 47.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.4 m -118.22 129.21 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 39.6 mm -70.28 113.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.25 157.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.1 105.34 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 t -99.49 24.27 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.501 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 18.2 t0 -164.4 121.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.3 t -134.91 93.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.96 106.83 0.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.68 19.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -119.64 -156.57 10.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -37.07 9.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -61.1 -50.67 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.17 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 120.76 -49.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.47 ' CB ' HD21 ' A' ' 20' ' ' LEU . 78.0 mt -69.55 -49.42 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.414 ' CD1' HD11 ' A' ' 20' ' ' LEU . 32.8 mt -118.08 169.57 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -139.68 158.53 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.77 150.53 41.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.77 35.57 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.5 m-20 -91.62 84.97 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -37.4 100.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 39.4 t -73.5 112.85 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -90.95 -55.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.41 ' SD ' ' HA2' ' A' ' 74' ' ' GLY . 11.1 ttm -133.79 147.76 51.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.6 t -135.26 101.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 8.6 m-20 60.11 37.41 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.41 ' HA2' ' SD ' ' A' ' 71' ' ' MET . . . 84.44 21.12 57.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.418 HG22 ' CD ' ' A' ' 88' ' ' GLN . 91.1 m -123.18 126.24 25.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.625 2.217 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.441 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mmt -106.8 19.47 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -97.39 113.23 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 72.65 44.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -118.3 169.34 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.06 150.46 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -50.54 -40.25 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 t -68.09 -33.27 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.17 -49.0 76.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.22 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -69.52 -41.97 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' N ' HG11 ' A' ' 86' ' ' VAL . 4.7 tt0 -39.53 -45.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.418 ' CD ' HG22 ' A' ' 75' ' ' THR . 85.7 mm-40 -64.28 -38.28 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' VAL . 77.5 mt -65.88 -53.43 39.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -62.97 -20.93 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -77.36 -28.88 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -63.57 153.87 34.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.55 -66.22 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -132.03 -41.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 96' ' ' ALA . 40.3 mm -111.8 145.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 95' ' ' ILE . . . -142.72 140.57 31.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.065 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASN . . . -108.8 123.41 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.86 133.06 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.24 98.99 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -105.68 168.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -133.45 123.32 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -107.15 133.87 20.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -139.59 124.67 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -53.74 -59.02 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.82 -170.76 38.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -46.84 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -129.91 155.69 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.5 84.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.415 ' C ' ' HG2' ' A' ' 9' ' ' GLU . 32.0 mtt -128.72 165.13 21.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.745 0.307 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 8' ' ' MET . 16.7 pt-20 39.4 49.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -73.97 -177.2 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.513 HG12 ' CD1' ' A' ' 13' ' ' TRP . 12.2 p -142.11 132.26 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -89.98 104.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 75.2 m95 -81.81 109.12 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.34 139.76 34.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -94.1 153.12 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -138.39 111.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -98.36 99.92 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.32 149.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.61 129.91 54.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.7 mt -108.3 150.03 27.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 47.5 mt-30 -107.46 128.51 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -62.38 96.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.6 t70 -62.9 -174.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -42.09 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -112.41 -50.02 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -52.22 -20.17 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.467 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 55.1 -110.67 1.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -80.65 4.81 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.24 2.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.86 158.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.79 142.64 34.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.31 143.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -136.96 141.88 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.99 -149.29 18.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.18 161.25 9.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -71.7 -9.02 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -122.97 -18.79 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.73 60.05 39.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 81.89 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.9 t-80 -45.26 -38.7 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.3 t80 -33.66 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.7 tt0 -33.68 -47.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -65.23 -55.98 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.71 81.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -131.79 106.92 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -76.28 48.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.3 m -129.62 117.32 20.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.0 mm -50.58 128.12 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.04 142.79 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.2 105.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -92.17 14.12 17.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -162.79 130.08 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 54' ' ' LEU . 42.6 t -134.83 96.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.9 tp -34.05 106.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.71 -7.71 21.74 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.17 19.1 4.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.49 -157.97 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.63 16.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -64.5 -44.68 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -44.46 91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 124.24 -51.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' CD1' HD23 ' A' ' 20' ' ' LEU . 82.2 mt -66.05 -50.26 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.6 mt -121.43 169.96 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -139.76 170.32 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.8 tt0 -71.68 140.65 49.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 0.9 OUTLIER 74.17 31.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' VAL . 41.4 p-10 -86.34 82.96 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -37.7 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' ASP . 12.9 t -68.94 129.77 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.24 -51.51 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.404 ' C ' HG22 ' A' ' 72' ' ' VAL . 20.5 ttm -135.39 154.75 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.404 HG22 ' C ' ' A' ' 71' ' ' MET . 89.6 t -146.42 105.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 61.09 25.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 29.96 10.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.7 m -134.43 126.43 18.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.99 6.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 mmt -97.36 15.9 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.48 124.33 33.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 60.83 42.05 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -117.21 162.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.89 141.85 44.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.2 t60 -45.57 -41.99 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -64.82 -36.32 83.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -64.36 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.75 -50.36 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.43 -40.98 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.8 tp60 -38.45 -58.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -49.74 -39.11 36.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.68 -50.6 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.1 ptm85 -67.5 -26.96 66.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -74.93 -39.07 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLY . 3.1 t -59.1 117.06 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.75 -81.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -132.85 -31.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 24.9 mm -111.55 127.08 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.22 152.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.16 115.32 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 50.6 mt -114.73 138.19 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.97 99.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -105.86 159.88 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -123.95 138.9 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -121.48 138.66 28.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' LYS . 4.4 tmt_? -109.35 73.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ARG . 24.6 mtmt -35.69 140.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.32 100.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.41 175.18 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.5 m -146.36 130.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.12 142.5 36.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.21 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.7 118.23 31.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.8 p -120.79 174.33 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.18 -154.82 7.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 170.89 15.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.7 p -134.27 163.26 30.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.9 p -87.32 -177.68 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -132.61 143.02 49.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -85.52 127.97 34.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.11 62.06 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t -82.11 -67.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -65.11 111.11 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.08 -84.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -94.99 152.13 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -98.51 165.07 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -144.21 172.62 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 12' ' ' ILE . 11.7 p -145.8 141.91 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' N ' HG22 ' A' ' 11' ' ' VAL . 24.1 mt -108.06 104.18 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 60.2 m95 -78.83 106.8 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -98.13 148.25 23.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -94.02 131.42 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.68 111.63 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -99.42 98.14 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.73 144.49 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.78 132.84 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.92 155.03 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 72.8 mt-30 -111.15 136.32 50.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -69.41 87.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.71 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -40.2 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' GLY . 36.2 mmtt -111.72 -57.26 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -42.64 -24.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 25' ' ' LYS . . . 67.73 -123.93 20.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -72.34 1.42 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.84 58.11 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -155.17 144.18 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -129.65 132.91 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 25.0 m -106.17 139.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -125.77 156.55 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 -154.18 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.96 149.68 5.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 36' ' ' ARG . 3.3 ppt_? -63.72 -9.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -116.36 -28.05 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -134.38 65.7 68.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 83.13 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -34.0 -51.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.3 m-85 -32.68 109.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.1 -32.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -68.12 -49.12 63.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.44 52.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -99.87 115.36 29.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.9 p -85.11 42.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.1 m -121.04 132.51 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 40.2 mm -67.01 124.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.84 148.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.464 ' CG2' HG22 ' A' ' 53' ' ' VAL . 8.5 mm -85.54 105.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -97.5 14.41 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 6.8 m-20 -159.07 119.4 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 50' ' ' ILE . 55.9 t -129.57 93.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -35.3 105.72 0.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.0 4.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.3 4.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -116.51 -156.09 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.6 6.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -58.72 -44.33 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -45.68 90.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.4 -50.68 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.45 -51.4 60.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.99 169.54 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.63 173.7 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.64 150.28 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 62.31 25.03 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.91 80.59 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 110.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.5 t -77.88 136.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.59 -40.36 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ttm -144.81 150.95 38.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -142.65 105.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.89 27.66 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.16 23.43 27.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -128.55 126.76 23.53 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.635 0.731 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 124.17 10.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.0 mmt -102.77 22.4 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -96.35 121.4 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.15 44.17 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -117.73 171.46 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.5 mt -80.16 144.47 32.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 4.0 t60 -50.12 -39.01 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.3 m -70.67 -31.56 68.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.77 -46.41 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.85 75.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -64.88 -41.84 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 4.7 tp60 -38.33 -58.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -49.18 -36.23 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' VAL . 39.1 mt -64.51 -54.83 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 90' ' ' ARG . 1.7 ptm85 -62.1 -29.54 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.38 -49.48 48.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -50.39 123.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.31 -84.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -128.06 -28.87 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 37.0 mm -113.92 131.16 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.07 48.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.1 100.0 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.47 135.88 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.67 99.32 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.4 m -104.33 170.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -129.94 119.65 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -106.67 139.66 20.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.74 114.12 3.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' LYS . 11.3 ttt85 -93.51 55.19 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 104' ' ' ARG . 5.9 mtpm? -34.07 140.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.13 148.43 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -144.75 153.0 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.0 m -41.63 125.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.69 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 124.94 11.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.51 76.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -141.89 142.42 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.04 91.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 154.72 67.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.2 p -83.46 58.94 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 m 48.04 45.15 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -93.51 152.84 18.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -119.42 151.24 38.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.59 175.91 22.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -67.65 103.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -173.07 145.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.55 109.31 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 ptp -64.07 172.38 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -111.93 103.33 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -142.56 -177.68 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG13 ' NE1' ' A' ' 13' ' ' TRP . 14.5 p -156.21 144.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' N ' HG21 ' A' ' 11' ' ' VAL . 16.0 mt -104.2 104.29 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' NE1' HG13 ' A' ' 11' ' ' VAL . 68.1 m95 -79.57 106.12 11.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.77 136.88 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -93.88 155.04 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -142.31 108.99 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -91.19 101.77 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.05 144.3 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.55 133.51 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' A' ' 62' ' ' LEU . 1.3 mt -106.76 160.07 15.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 39.3 mt-30 -113.51 125.27 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -58.04 87.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.47 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -43.17 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -112.68 -50.37 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 -48.69 -19.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.68 -107.94 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.2 m-85 -87.61 4.38 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.55 60.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -152.01 153.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB3' ' CG ' ' A' ' 52' ' ' ASP . . . -140.09 120.3 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 26.6 m -93.96 158.61 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -136.11 176.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.16 -144.78 17.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.94 138.73 4.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -63.63 -33.96 76.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -103.11 -26.52 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -133.35 64.24 68.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.2 t-80 -52.77 -40.26 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.1 t80 -33.66 105.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.7 pp20? -33.67 -49.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t-20 -58.21 -45.78 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 119.79 22.19 3.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 129.03 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -92.54 46.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -121.89 124.2 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.46 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 35.2 mm -60.65 106.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.4 140.04 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 4.3 mm -74.92 106.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.467 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 5.5 t -94.41 9.38 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' C ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -158.83 125.91 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -132.52 97.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.9 tp -38.93 111.05 0.62 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.544 0.688 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -7.92 22.29 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.16 2.05 8.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -101.33 -161.8 27.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.97 19.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' CB ' HD23 ' A' ' 20' ' ' LEU . 94.9 mt -63.85 -50.57 68.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.64 167.65 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.67 -179.55 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.3 tt0 -80.08 140.18 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' GLU . 1.3 m-80 74.99 25.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 67' ' ' ASP . 23.7 p-10 -80.38 79.12 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.7 OUTLIER -35.71 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.2 t -69.93 130.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -109.95 -57.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.474 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 6.2 ttp -130.41 146.5 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' N ' ' HG2' ' A' ' 71' ' ' MET . 63.1 t -134.49 103.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 64.03 28.71 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.03 24.53 29.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.7 m -128.45 127.41 23.64 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.4 mmt -95.64 14.67 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.16 123.09 32.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t70 64.75 42.92 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.64 165.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.51 146.84 44.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 5.4 t60 -55.19 -24.39 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.1 t -84.72 -29.08 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.72 -36.46 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 17.6 tt0 -44.71 -55.23 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -54.89 -34.36 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.64 -46.44 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 6.3 ptp180 -72.12 -9.81 58.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -91.2 -48.51 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.436 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 t -46.77 119.33 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.23 -85.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -127.11 -35.88 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 21.8 mm -110.02 126.87 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 92' ' ' SER . . . -127.68 148.28 50.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 127.14 53.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.1 mt -123.06 136.39 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.472 HG22 ' CE ' ' A' ' 71' ' ' MET . 16.6 t -113.52 98.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.91 156.47 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -128.49 122.91 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -104.3 131.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 116.29 4.49 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -103.89 78.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 11' ' ' VAL . 24.0 mttm -45.31 142.12 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -80.05 77.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.431 ' C ' HG11 ' A' ' 108' ' ' VAL . 1.9 mt-30 -135.83 172.07 13.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG11 ' C ' ' A' ' 107' ' ' GLN . 33.1 m -143.93 147.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.9 130.78 5.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.24 66.49 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.58 165.36 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.9 p -109.17 172.49 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.42 165.87 43.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 117.94 5.39 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.2 p -103.62 154.67 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 t -164.27 167.92 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -86.31 84.11 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -110.35 133.07 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.74 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -139.95 168.43 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -98.69 99.83 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.21 -40.21 0.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmm -49.29 168.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -122.11 176.56 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 -177.74 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 13' ' ' TRP . 12.1 p -152.48 135.29 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 10.0 mt -93.07 102.58 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.506 ' CD1' HG11 ' A' ' 11' ' ' VAL . 75.5 m95 -79.34 104.71 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.15 142.68 27.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -93.8 130.32 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 4.3 m-85 -110.25 109.32 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -88.8 97.87 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.09 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.458 HG21 ' CG2' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -122.29 137.11 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.22 141.17 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.37 128.45 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -53.44 94.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -49.95 179.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -37.64 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ARG . 26.8 mmtt -111.69 -61.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' LYS . 37.8 mmt-85 -35.9 -44.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.76 -128.95 9.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -67.5 -4.14 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.74 56.22 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CG2' ' HB1' ' A' ' 59' ' ' ALA . 7.2 pt -151.79 157.54 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -148.58 139.05 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.8 m -100.75 158.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 p -139.88 147.02 40.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.23 -177.41 36.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.69 145.36 6.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HB3' ' N ' ' A' ' 80' ' ' VAL . 4.3 ppt_? -47.47 -20.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.15 -20.59 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -130.76 60.6 54.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.5 t-80 -47.55 -38.81 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' HIS . 3.1 t80 -32.39 103.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -33.12 -53.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -57.78 -57.89 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.72 76.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -128.33 118.04 22.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 p -81.15 49.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.5 m -127.0 109.08 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mm -48.98 127.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -130.24 153.3 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 11.0 mm -84.6 103.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 t -93.14 18.94 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 3.8 m-20 -161.13 117.5 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 54' ' ' LEU . 79.4 t -127.96 93.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' VAL . 8.8 tp -33.24 108.85 0.31 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 0.59 5.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.51 15.45 3.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.36 -155.5 10.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -41.07 4.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -55.34 -50.07 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.08 89.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 136.18 -56.21 0.7 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.83 -61.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 100' ' ' VAL . 74.9 mt -108.84 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -142.13 170.37 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.6 tt0 -63.47 139.73 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 73.05 44.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' HG11 ' A' ' 49' ' ' VAL . 17.1 m-20 -93.36 106.52 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.481 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.7 mpt_? -57.6 91.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t -62.44 123.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.97 -60.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ttm -131.27 148.62 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -138.28 107.1 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 57.77 34.83 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.03 30.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -134.07 127.41 19.1 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.131 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.02 10.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.9 mmt -103.53 13.17 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.64 123.74 33.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.5 45.22 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.427 ' N ' ' HB3' ' A' ' 36' ' ' ARG . 18.0 m -120.54 171.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.07 150.07 28.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -53.9 -38.32 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -71.08 -30.96 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.0 -45.68 80.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.26 -52.3 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 89' ' ' LEU . 3.6 p -65.73 -40.26 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 12.5 tt0 -41.92 -48.94 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -60.89 -32.49 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' VAL . 89.2 mt -73.54 -50.01 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.418 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 ptm180 -64.47 -12.2 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -87.58 -39.32 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -50.76 155.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.89 -68.39 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -132.95 -33.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 19' ' ' THR . 17.0 mm -118.16 135.41 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.75 137.17 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.21 121.41 42.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.8 mt -126.95 120.86 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.49 102.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.537 ' CG2' ' CD2' ' A' ' 63' ' ' LEU . 33.7 m -107.07 172.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -140.66 122.8 15.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -101.56 138.77 19.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 112.98 3.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 9.7 ttt180 -102.42 79.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -45.99 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 65.7 t -53.81 158.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -121.29 134.35 55.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.8 m -98.8 139.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.74 136.32 9.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.8 52.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.34 123.31 28.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.4 t -150.33 141.38 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.6 120.6 22.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 139.71 41.11 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 p -98.99 149.17 23.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.4 p -57.43 161.78 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 49.71 42.08 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -156.0 144.91 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.63 159.81 27.84 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -113.35 129.22 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -131.41 -55.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.92 55.07 2.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -63.84 161.34 15.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.88 129.17 56.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -103.83 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 13' ' ' TRP . 11.6 p -153.69 138.38 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.76 104.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.48 ' CD1' HG11 ' A' ' 11' ' ' VAL . 78.3 m95 -80.8 102.88 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -95.97 139.71 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -93.83 132.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 2.5 m-85 -112.52 109.89 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -96.27 98.56 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.21 154.84 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.04 126.98 55.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 62' ' ' LEU . 6.3 mt -105.16 146.08 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 50.6 mt-30 -104.44 136.75 43.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -72.34 90.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.3 t0 -53.91 -175.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.35 -72.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -112.28 -60.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -45.36 -21.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.475 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 56.98 -114.55 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CE2' ' CE ' ' A' ' 22' ' ' LYS . 23.4 m-85 -77.18 1.46 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.19 56.31 4.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -151.1 148.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.76 137.99 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.4 m -106.47 147.49 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -140.16 143.51 36.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.77 -157.03 15.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.9 146.9 4.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ptt85 -60.07 -12.35 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.72 -27.73 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.41 65.13 71.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 79.99 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.89 -44.47 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -34.53 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 41' ' ' PHE . 8.6 pt-20 -32.88 -43.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 18.4 t-20 -63.55 -58.16 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.45 72.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.5 tt0 -121.87 106.16 11.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 p -79.36 52.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.1 m -139.12 110.27 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 mm -39.3 141.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 53' ' ' VAL . 29.7 mm -76.51 107.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -94.64 12.16 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -163.96 129.45 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.5 t -133.14 93.63 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.5 105.77 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.705 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.32 2.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.2 14.24 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.473 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -118.21 -157.36 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.77 23.27 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.2 -36.52 77.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.53 94.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 20' ' ' LEU . 93.9 mt -63.17 -56.87 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.58 173.08 7.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -141.56 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.59 146.21 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.452 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 19.6 m-80 71.23 29.24 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' VAL . 4.8 m-20 -84.18 86.83 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -42.11 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ASP . 43.9 t -65.86 128.83 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -109.34 -54.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.415 ' C ' HG23 ' A' ' 72' ' ' VAL . 10.3 ttm -132.88 150.93 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 71' ' ' MET . 92.7 t -143.51 105.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 61.16 30.12 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.31 29.4 22.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -133.45 126.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 0.0 111.087 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.66 7.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.425 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 10.5 mmt -100.31 13.88 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.84 126.55 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 61.53 45.75 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 173.37 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.501 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.2 t60 -53.24 -37.06 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -70.36 -28.41 65.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -73.36 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.53 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.9 -41.6 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.9 tp60 -40.17 -57.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -49.64 -40.09 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.4 -48.9 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.3 ptp180 -72.41 -15.36 61.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -84.31 -37.84 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -57.93 145.12 36.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.63 -77.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -126.14 -39.76 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 45.3 mm -107.58 134.93 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.73 133.3 44.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.94 120.5 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.77 140.3 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.92 99.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.45 165.26 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -128.41 122.62 31.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 26.3 mtm180 -105.79 133.55 20.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' LYS . 12.9 ttt-85 -111.85 71.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ARG . 24.3 mttp -38.18 150.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.9 t -60.37 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -160.76 152.52 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.99 131.78 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.5 138.49 75.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.44 30.94 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -146.56 151.48 37.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -67.79 162.06 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.04 -156.23 7.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -23.68 30.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.4 m -42.19 112.48 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.4 m -109.53 -56.52 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -62.08 140.68 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -106.91 -56.2 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 96.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -69.44 100.08 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t 60.06 38.8 20.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.3 -65.35 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 mtt -101.82 145.49 29.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.34 121.7 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -107.77 -179.53 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 13' ' ' TRP . 2.2 t -150.59 134.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -118.64 98.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' HG11 ' A' ' 11' ' ' VAL . 73.6 m95 -78.22 104.63 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.15 140.48 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.3 131.13 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -115.96 114.99 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -100.45 99.05 9.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.458 ' CG2' HD22 ' A' ' 63' ' ' LEU . 1.9 m -124.29 155.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.52 135.97 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -113.02 139.74 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -94.98 138.38 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' ASP . 5.7 tttt -71.51 87.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 1.6 t70 -50.18 -177.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.9 p -42.43 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -112.03 -47.99 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CD ' HD12 ' A' ' 54' ' ' LEU . 26.0 mtt85 -57.97 -11.26 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.449 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 52.83 -126.4 32.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.45 -4.82 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.19 49.72 58.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.71 144.71 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -131.68 136.33 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.419 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 15.9 m -103.3 150.5 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -140.62 153.7 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.4 -153.42 18.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 157.75 7.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -17.64 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.31 -23.78 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.46 60.69 44.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 79.95 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.6 t-80 -43.95 -40.79 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' GLU . 3.3 t80 -33.87 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 9.5 pt-20 -33.86 -44.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -60.54 -53.82 52.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.22 20.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.56 130.62 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.394 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 p -98.85 46.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -124.36 113.78 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.419 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 44.7 mm -47.41 140.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -143.29 154.03 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CG2' HG23 ' A' ' 53' ' ' VAL . 32.7 mm -80.85 109.13 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 6.8 t -99.42 16.9 21.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 15.3 m-20 -163.96 120.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' LEU . 82.5 t -127.93 93.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD21 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.23 106.26 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.75 4.22 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.19 17.22 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.478 ' N ' HD21 ' A' ' 54' ' ' LEU . . . -119.74 -152.94 9.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.3 -48.25 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -42.53 91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.89 -53.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt -63.47 -56.96 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 HD22 ' CG2' ' A' ' 18' ' ' VAL . 82.9 mt -119.87 167.0 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG3' ' NH1' ' A' ' 102' ' ' ARG . 15.0 mt-30 -132.87 178.32 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.21 149.44 38.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 64.85 30.85 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.47 92.08 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -42.01 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.3 125.42 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t -106.59 -57.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 2.9 ttp -129.98 145.46 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' N ' ' HG2' ' A' ' 71' ' ' MET . 85.3 t -134.93 103.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 64.06 28.49 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.23 22.35 35.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 m -125.92 127.77 24.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.8 mmt -95.54 15.0 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.5 123.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 65.3 41.71 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.543 ' HB ' ' CD1' ' A' ' 84' ' ' PHE . 11.3 m -116.51 172.2 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.16 149.29 23.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -51.65 -35.12 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -77.59 -24.28 49.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.543 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 54.2 t80 -75.48 -45.18 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -66.11 -37.92 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -58.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -46.74 -42.97 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.76 -54.68 44.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.68 -19.48 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -81.41 -37.58 27.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t -58.23 138.27 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.83 -82.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -124.62 -36.51 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.5 mm -113.74 130.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.81 148.43 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.22 127.01 53.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.8 mt -125.54 136.24 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.78 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.63 162.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -127.83 124.58 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 64' ' ' GLN . 39.9 mtm180 -112.74 129.39 24.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.72 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 126.78 13.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -105.23 77.22 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -49.03 133.3 18.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -88.89 133.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -164.61 138.4 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 m -99.02 143.24 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.34 135.84 5.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.89 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.04 149.41 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.2 t -77.9 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.61 -128.21 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 124.88 11.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m -83.18 -54.45 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.2 m -44.48 136.88 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.425 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -120.66 -44.99 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 p -64.06 125.49 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 -66.69 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -97.07 -48.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -96.31 -68.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.58 173.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -94.13 159.1 15.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -72.46 178.04 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.72 170.76 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 105' ' ' LYS . 13.4 p -154.48 141.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' N ' HG21 ' A' ' 11' ' ' VAL . 12.5 mt -99.98 103.47 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.493 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 70.8 m95 -79.09 106.39 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -94.93 145.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 m-85 -115.31 110.8 19.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.0 m -98.03 100.08 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.32 144.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.41 130.34 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 62' ' ' LEU . 5.9 mt -108.16 139.42 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 58.5 mt-30 -97.51 128.17 44.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.594 ' HE3' ' CZ ' ' A' ' 28' ' ' PHE . 5.4 ttmt -59.71 85.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.06 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.5 m -38.47 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -112.76 -50.26 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' CD ' HD12 ' A' ' 54' ' ' LEU . 3.0 mmp_? -47.61 -26.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 -79.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.594 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 25.0 m-85 -117.42 4.22 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.82 48.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 28' ' ' PHE . 2.6 pt -136.61 150.86 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.088 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.1 141.11 45.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.55 143.41 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -135.43 152.49 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.66 -143.55 15.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.19 140.07 4.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -65.37 -8.48 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.75 -27.93 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -134.02 59.97 41.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 81.55 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.508 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -45.26 -41.66 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -28.72 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 41' ' ' PHE . 4.4 tp10 -31.39 -45.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -58.5 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.8 76.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 47.7 tt0 -133.56 80.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.6 p -38.75 -38.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 m -46.01 105.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mm -41.55 143.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -147.3 146.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.408 ' CG2' HG22 ' A' ' 53' ' ' VAL . 10.0 mm -80.1 104.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -96.02 18.55 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -164.19 124.59 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.7 t -133.99 93.79 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 HD12 ' CD ' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -37.51 106.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 4.72 2.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.73 10.64 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' HD21 ' A' ' 54' ' ' LEU . . . -111.34 -159.91 16.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.57 23.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.41 -41.98 75.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.79 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.25 -48.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD1' HD21 ' A' ' 20' ' ' LEU . 97.8 mt -66.38 -54.55 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 mt -114.68 175.67 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 7.5 pt20 -142.01 170.89 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.67 147.01 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 68' ' ' ARG . 35.4 m-80 68.25 33.59 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 25.5 m-20 -88.46 99.89 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -52.76 96.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 12.5 t -67.73 122.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.43 -53.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttm -135.19 153.05 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.6 t -141.8 105.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.82 25.02 14.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.48 23.07 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 m -127.19 126.76 24.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.703 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.58 8.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.407 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mmt -100.61 19.14 17.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.14 119.21 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 t0 66.05 42.19 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.13 173.11 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -82.69 143.81 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -50.01 -36.29 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -75.29 -26.16 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.08 -39.95 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.54 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -64.85 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.9 tp60 -40.72 -58.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -49.03 -39.98 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.0 mt -60.12 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 15.3 ptm180 -67.22 -28.68 68.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -75.44 -28.43 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -61.2 129.05 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.28 -73.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -129.12 -44.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 32.4 mm -106.45 128.62 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.65 128.24 52.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.57 118.74 33.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.8 mt -119.18 124.6 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -103.77 99.36 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.0 m -106.28 168.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -133.57 135.25 44.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.441 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 32.1 mtt180 -123.13 141.52 36.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.493 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 121.08 7.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 105' ' ' LYS . 22.2 ttt-85 -110.43 69.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 11' ' ' VAL . 27.6 mtmt -35.89 148.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.6 t -71.39 134.02 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -138.06 125.1 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.6 m -106.54 157.19 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.69 112.96 4.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.46 3.09 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 112' ' ' SER . 2.6 pt? -39.35 143.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' LEU . 54.2 m -34.52 125.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.14 176.86 39.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.43 14.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 62.32 41.5 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -83.38 114.06 21.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -93.75 133.31 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -89.96 134.31 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -101.51 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 55.69 44.65 26.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -92.78 154.04 18.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.53 114.06 3.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mtt -141.34 110.66 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -50.07 174.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -111.43 176.74 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.562 HG12 ' CD1' ' A' ' 13' ' ' TRP . 2.2 t -143.53 130.67 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt -115.51 99.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.562 ' CD1' HG12 ' A' ' 11' ' ' VAL . 74.7 m95 -78.47 102.51 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.64 142.24 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -93.23 147.55 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -132.31 111.06 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -98.0 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.64 146.22 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.48 131.15 52.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 62' ' ' LEU . 3.8 mt -108.9 158.25 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 35.6 mt-30 -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.591 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.92 91.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.7 t70 -56.54 174.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.8 p -54.58 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -110.85 -18.16 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 mmp_? -112.64 61.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -25.11 -91.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 9.7 m-85 -100.87 4.95 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.08 53.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pt -144.03 147.7 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -133.42 131.13 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 48' ' ' ILE . 20.0 m -99.14 146.06 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -131.55 128.37 39.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.94 -148.47 20.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.05 116.78 1.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -47.38 -24.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.73 -27.9 9.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -134.71 68.8 72.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 81.88 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.506 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -43.52 -42.89 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -29.74 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.2 mp0 -30.95 -48.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.02 -56.75 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.0 80.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 3.1 tp10 -134.18 120.37 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -87.22 51.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.8 122.1 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 32' ' ' VAL . 41.5 mm -55.96 107.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.2 147.83 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 4.9 mm -84.0 103.73 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.0 t -97.16 17.84 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 4.7 m-20 -162.59 120.97 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 54' ' ' LEU . 57.1 t -131.91 93.78 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.5 tp -33.33 113.09 0.4 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.56 18.88 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.39 10.69 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -104.19 -164.7 24.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -26.3 27.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -71.7 -33.9 69.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -52.37 88.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.32 -48.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' CB ' HD21 ' A' ' 20' ' ' LEU . 98.8 mt -66.8 -48.13 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 mt -120.41 169.83 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -136.14 177.15 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -81.65 140.33 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 10.3 m-80 71.25 36.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' OD1' ' CG1' ' A' ' 50' ' ' ILE . 34.0 p-10 -91.32 82.85 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 1.2 mpp_? -42.17 96.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ASP . 62.8 t -64.92 149.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -125.41 -44.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttm -143.12 149.37 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.7 t -142.13 106.63 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 60.75 26.78 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.73 30.55 11.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.421 HG23 ' NE2' ' A' ' 88' ' ' GLN . 32.2 m -134.7 126.08 17.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 111.144 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.89 8.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.8 mmt -99.77 18.71 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -93.77 125.67 38.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 61.34 43.67 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.28 166.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.8 146.39 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -47.97 -45.79 31.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 t -61.55 -35.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.05 -43.49 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.23 77.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.9 p -65.36 -42.57 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' VAL . 3.5 tp60 -36.63 -59.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' NE2' HG23 ' A' ' 75' ' ' THR . 75.4 mm-40 -48.41 -38.31 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 27.0 mt -63.27 -53.44 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 10.8 ptm180 -64.73 -29.01 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.71 -34.62 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t -57.74 133.22 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.24 -69.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -133.36 -43.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.416 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.8 mm -106.78 137.79 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.48 137.33 49.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 109.84 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.9 133.59 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.67 98.97 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.9 m -104.81 165.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -129.22 132.7 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -121.99 127.73 25.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.84 127.27 14.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -106.82 82.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -56.81 146.97 24.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.0 106.38 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -136.37 135.54 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.6 m -87.45 134.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -49.59 143.87 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.85 16.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 tp -81.81 124.51 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 82.8 p -52.62 165.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.85 118.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.89 16.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 86.8 p -128.88 93.72 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -149.93 114.7 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -169.0 158.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -53.88 118.16 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -121.64 76.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 46.1 m -36.29 117.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.868 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -103.61 135.73 44.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.35 69.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 ttp -168.99 148.73 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.41 164.67 15.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -130.33 170.76 13.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 13' ' ' TRP . 7.7 p -151.85 138.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 mt -94.46 103.53 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.479 ' CD1' HG11 ' A' ' 11' ' ' VAL . 77.6 m95 -80.52 103.11 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -94.97 135.9 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -93.7 132.22 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 1.7 m-85 -114.9 109.15 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -95.38 97.9 10.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.51 159.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.59 131.53 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.7 mt -106.63 145.83 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 62.6 mt-30 -102.53 129.63 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 28' ' ' PHE . 5.8 ttmt -62.0 90.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 12.1 t0 -57.95 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -57.75 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -109.81 -11.61 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' O ' ' C ' ' A' ' 27' ' ' GLY . 25.9 mmt180 -114.07 51.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -16.49 -94.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.519 ' CZ ' ' CE ' ' A' ' 22' ' ' LYS . 8.0 m-85 -96.06 8.42 43.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.32 48.25 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 28' ' ' PHE . 3.2 pt -140.79 141.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -126.66 130.52 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 8.7 m -98.43 148.46 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -138.13 147.32 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.8 -162.49 13.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.55 145.16 4.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -62.2 -10.49 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -122.96 -25.49 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -131.16 60.39 52.59 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.28 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.3 t-80 -48.45 -43.44 34.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -33.25 101.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.1 pt-20 -34.5 -42.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -59.9 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 121.02 12.1 6.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.2 tp10 -72.06 117.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.1 p -85.62 49.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -119.95 125.66 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.434 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 26.7 mm -62.7 102.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -112.24 144.76 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 53' ' ' VAL . 20.9 mm -74.41 104.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -95.75 19.74 10.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 29.3 t70 -164.37 120.04 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 50' ' ' ILE . 70.8 t -135.02 93.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 tp -40.26 111.62 0.77 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.315 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.3 17.85 6.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -157.76 10.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -44.29 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -56.54 -43.22 79.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -43.39 92.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.78 -50.69 0.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 20' ' ' LEU . 37.9 mt -68.27 -36.97 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -136.41 162.82 31.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 27.0 mt-30 -131.95 177.35 7.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.34 141.39 43.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 72.03 35.41 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 6.1 m-20 -86.39 84.72 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.0 mpt_? -37.84 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 58.8 t -68.49 124.77 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.33 -54.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.403 ' C ' HG21 ' A' ' 72' ' ' VAL . 12.2 ttm -134.11 153.49 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG21 ' C ' ' A' ' 71' ' ' MET . 96.5 t -143.68 105.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 62.64 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.92 24.09 23.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.466 HG22 ' CE ' ' A' ' 77' ' ' MET . 86.1 m -126.7 130.6 23.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.73 8.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.472 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 16.4 mmt -103.09 17.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -93.09 126.72 38.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 59.85 46.65 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.09 170.45 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -81.13 149.57 29.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.9 t60 -55.05 -35.97 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -72.65 -25.87 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -75.42 -41.67 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.41 83.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.33 -36.84 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.4 tp-100 -42.75 -57.78 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -49.08 -39.21 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.26 -50.65 72.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.9 ptm85 -68.97 -26.24 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -71.9 -38.17 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -53.31 145.5 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.06 -73.88 0.97 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -127.85 -44.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.422 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 20.9 mm -111.12 125.64 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.82 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.89 113.54 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.14 128.09 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.95 99.73 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.9 m -107.75 166.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -131.64 123.56 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.542 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -102.77 127.84 29.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.86 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -111.36 83.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -52.39 140.76 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 90.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -119.76 159.91 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.3 m -124.32 161.77 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.77 132.55 93.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -175.87 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.411 ' CD2' ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -136.14 115.98 13.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.0 m -131.09 164.36 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -98.59 174.98 28.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 173.09 11.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -143.49 169.65 17.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 m -39.53 -50.79 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -65.01 151.37 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 p -103.91 -57.07 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.4 -161.78 25.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -92.9 135.47 34.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 -80.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -97.57 172.35 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -68.38 179.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.02 -176.88 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.474 HG11 ' NE1' ' A' ' 13' ' ' TRP . 12.0 p -156.76 141.53 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 8.1 mt -99.2 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 66.0 m95 -78.93 105.85 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -95.13 143.13 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 9.2 mt-30 -93.84 156.03 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 17.4 m-85 -141.93 110.12 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -93.88 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -124.32 147.48 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.74 131.82 53.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.1 mt -108.93 159.24 16.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mt-30 -115.8 132.0 56.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.0 89.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.502 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.0 t0 -55.0 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 m -50.31 -71.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -35.76 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' O ' ' C ' ' A' ' 27' ' ' GLY . 74.9 mmt-85 -85.55 39.28 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.662 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -2.05 -104.32 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 5.2 m-85 -84.87 1.82 45.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ARG . . . 44.24 55.49 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.415 ' HB ' ' CD1' ' A' ' 50' ' ' ILE . 1.1 pt -144.62 148.78 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -131.74 139.3 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG21 ' CE1' ' A' ' 82' ' ' HIS . 14.7 m -105.74 142.88 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 143.7 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.32 -158.42 21.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.31 170.18 22.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 37' ' ' ASP . 13.3 ptm180 -63.4 -39.86 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 7.9 m-20 -98.54 -13.42 20.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.68 58.89 39.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 79.68 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -48.08 -43.24 30.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -35.89 98.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.5 pt-20 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' PHE . 7.0 m120 -63.93 -58.06 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.11 31.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.58 116.18 25.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -84.93 46.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -126.08 116.43 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm -50.16 135.88 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -138.36 149.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' CD1' ' HB ' ' A' ' 30' ' ' ILE . 17.8 mm -82.5 98.93 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -88.93 19.99 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 9.4 t70 -162.58 122.68 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.0 t -134.98 94.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -38.76 112.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.39 14.73 6.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.33 -161.08 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -34.8 13.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.01 -37.3 87.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -48.75 89.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.02 -51.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 20' ' ' LEU . 51.8 mt -63.97 -49.57 72.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.56 171.57 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -138.03 167.2 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.45 134.8 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 72.62 37.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' ARG . 43.4 p-10 -83.79 84.85 7.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 3.8 mpt_? -36.24 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 90.7 t -70.91 141.29 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.94 -54.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.407 ' C ' HG23 ' A' ' 72' ' ' VAL . 16.4 ttm -136.47 151.55 49.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 71' ' ' MET . 98.7 t -141.87 107.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 58.85 25.78 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.97 24.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.456 HG21 ' CE ' ' A' ' 77' ' ' MET . 89.6 m -125.18 126.79 25.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.95 10.6 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.471 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 10.7 mmt -105.17 14.78 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.15 118.67 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 66.81 44.35 2.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.88 164.6 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.89 141.01 39.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.5 t60 -42.27 -47.5 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -56.8 -44.12 81.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.1 -35.71 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.5 -52.85 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 87' ' ' GLN . 2.7 p -64.08 -38.89 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.0 tp60 -40.37 -58.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -49.47 -41.18 39.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 mt -59.53 -52.74 64.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 7.4 ptm180 -65.19 -30.62 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -71.12 -30.52 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 t -62.53 130.51 45.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.09 -83.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -124.33 -36.28 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 30.2 mm -113.09 134.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.33 151.1 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.24 107.64 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.4 mt -110.21 142.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 t -118.51 98.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.405 HG11 ' CG ' ' A' ' 67' ' ' ASP . 20.1 m -100.09 -177.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -147.18 130.92 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 137.66 20.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 112.93 3.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.634 2.222 . . . . 0.0 112.389 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 6.7 ttt85 -106.83 81.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -45.17 140.24 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -73.62 118.36 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -167.94 177.45 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.01 174.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.66 155.77 36.83 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 143.85 52.48 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.3 tp -93.6 105.62 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.4 p -44.5 147.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.47 152.94 22.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 161.58 45.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p -121.04 127.72 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.8 t -88.0 -50.31 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -124.85 168.64 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -75.02 117.03 16.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -172.17 131.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -73.83 114.21 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.21 -74.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -58.35 174.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.58 177.17 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -113.85 179.31 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 12' ' ' ILE . 14.4 p -151.28 143.85 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' N ' HG21 ' A' ' 11' ' ' VAL . 27.8 mt -103.46 103.34 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -78.82 109.06 12.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.8 135.02 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -94.55 137.98 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -124.51 111.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -98.06 103.95 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.38 155.47 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.417 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.58 133.4 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.3 mt -110.02 149.94 29.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' GLY . 71.7 mt-30 -103.7 124.03 48.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.02 91.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.2 t70 -61.51 174.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -45.62 -64.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -111.73 -40.13 4.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' GLY . 9.2 mpt_? -85.95 49.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.602 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -15.94 -73.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLY . 13.8 m-85 -113.06 10.71 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.59 57.05 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -145.68 143.67 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -125.94 124.57 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 82' ' ' HIS . 25.3 m -96.03 152.1 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -147.29 141.15 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.61 -152.88 17.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 152.73 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -64.8 -20.36 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.4 -21.28 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -133.4 57.62 27.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.711 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 89.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.0 t-80 -59.8 -40.79 89.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.9 t80 -31.15 104.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.6 tt0 -29.6 -53.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -53.74 -60.74 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.61 29.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.84 131.16 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.9 p -100.41 49.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -130.5 168.77 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 HG13 ' CB ' ' A' ' 85' ' ' ALA . 30.3 mm -99.77 110.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.33 150.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.1 mm -84.01 103.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -94.15 18.08 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 21.7 t0 -163.76 123.77 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' LEU . 65.9 t -135.02 93.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 53' ' ' VAL . 6.8 tp -32.13 115.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -10.52 28.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.65 35.17 2.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -128.86 -158.47 9.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.82 11.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -67.7 -37.45 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -49.21 90.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.48 -51.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 20' ' ' LEU . 94.4 mt -66.8 -44.62 80.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.7 mt -125.92 165.77 18.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 15.4 mt-30 -137.94 163.35 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.88 141.32 58.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 74.93 27.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 64' ' ' GLN . 7.4 m-20 -80.13 76.93 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -35.94 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 48.4 t -67.81 129.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -111.0 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 ttm -134.19 153.12 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.78 104.96 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 55.01 35.03 23.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 22.76 40.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.44 HG21 ' NE2' ' A' ' 88' ' ' GLN . 22.4 m -122.56 124.24 26.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 125.2 11.9 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.435 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 6.8 mmt -108.52 15.19 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.12 122.9 35.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 64.75 43.96 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.03 174.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.6 142.75 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.7 t60 -47.97 -40.28 21.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.8 p -67.19 -32.69 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -67.73 -39.59 84.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 48' ' ' ILE . . . -64.33 -46.29 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 87' ' ' GLN . 2.8 p -68.95 -41.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' N ' HG11 ' A' ' 86' ' ' VAL . 2.8 tp60 -40.38 -58.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.1 mm-40 -49.84 -41.19 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.06 -53.04 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -66.66 -22.65 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.81 -34.44 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -56.23 124.35 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.59 -80.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -130.71 -49.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.3 mm -103.34 133.64 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.93 152.51 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.16 104.94 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -102.87 137.25 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 t -112.29 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.415 ' CB ' ' HB3' ' A' ' 67' ' ' ASP . 3.8 m -106.25 154.41 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -122.97 124.44 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -106.56 134.87 19.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 115.52 4.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' LYS . 13.0 ttt180 -104.05 70.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 104' ' ' ARG . 1.3 mtmp? -34.04 134.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.17 110.33 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -97.79 154.86 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.2 m -78.74 159.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.59 24.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.56 67.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.41 147.99 26.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.9 p -107.33 156.15 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.98 159.26 23.47 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 94.2 p -144.92 141.78 29.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 90.0 p -87.12 -44.85 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -81.09 -47.01 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t 58.45 34.3 23.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.71 -87.47 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -117.98 126.97 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p -166.79 130.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.93 -157.37 28.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.8 121.76 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.727 0.299 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -132.04 91.95 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -135.85 172.19 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG11 ' NE1' ' A' ' 13' ' ' TRP . 10.9 p -148.17 142.63 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' HG21 ' A' ' 11' ' ' VAL . 26.4 mt -99.17 105.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.483 ' NE1' HG11 ' A' ' 11' ' ' VAL . 71.0 m95 -82.09 105.13 12.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.59 139.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -93.8 135.14 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.414 ' CE1' ' HD2' ' A' ' 102' ' ' ARG . 5.5 m-85 -120.92 110.61 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -103.55 99.27 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 62' ' ' LEU . 2.9 m -117.35 156.3 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.82 128.74 55.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CD2' HD11 ' A' ' 62' ' ' LEU . 2.6 mt -106.99 151.06 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' GLY . 70.4 mt-30 -105.51 125.83 51.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -59.05 92.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 18.5 t70 -63.47 169.18 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -39.33 -66.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -111.57 -42.21 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.612 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -82.41 47.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -14.67 -71.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.74 5.35 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.8 49.21 3.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -139.85 156.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -138.62 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 HG23 ' CE1' ' A' ' 82' ' ' HIS . 30.2 m -104.53 150.92 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -143.04 141.11 31.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.5 -151.3 17.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.15 141.16 3.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -55.63 -13.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.7 -20.52 7.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -132.75 58.56 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.377 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.1 t-80 -42.21 -45.67 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -33.12 100.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.8 pp20? -34.03 -53.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 16.4 t30 -56.68 -57.64 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.42 76.82 0.25 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -131.67 80.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.1 p -42.11 -38.1 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -40.7 112.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 HG13 ' CB ' ' A' ' 85' ' ' ALA . 45.9 mm -52.91 126.59 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -126.09 152.23 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -85.57 103.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -94.47 19.01 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 30.8 t0 -162.36 122.21 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.4 t -135.0 93.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 26' ' ' ARG . 6.8 tp -37.07 114.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.61 21.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.86 30.73 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.95 -161.62 11.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -33.38 16.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.276 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.58 -36.33 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.77 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.69 -46.36 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 34.8 mt -71.33 -35.11 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.4 mt -133.04 165.82 23.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -135.82 167.82 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.0 144.98 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 65.41 34.91 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' ARG . 52.0 p-10 -83.27 82.44 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.1 mpt_? -34.21 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ASP . 60.0 t -70.66 127.29 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 t -108.11 -57.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 ttm -132.89 153.8 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.3 t -139.82 104.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 58.96 30.59 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.65 22.86 32.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.4 m -125.76 127.51 24.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 124.8 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.6 mmt -106.72 16.15 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.67 121.94 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t0 66.22 45.21 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.5 m -123.48 166.95 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.34 147.6 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.529 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.8 t60 -50.82 -36.15 35.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -70.13 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.89 -41.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' CB ' HG13 ' A' ' 48' ' ' ILE . . . -65.29 -50.02 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.86 -38.29 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -42.79 -57.2 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -50.18 -40.44 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.73 -48.84 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.445 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.9 ptp180 -71.21 -20.95 62.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -80.16 -42.74 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -45.86 126.13 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.17 -75.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -130.93 -46.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.7 mm -105.95 138.35 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.0 154.27 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.74 104.44 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.6 mt -102.61 135.42 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.7 t -110.18 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -105.16 168.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -135.81 120.91 18.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 10.5 mtt180 -105.32 131.48 21.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.403 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.77 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ttp85 -107.06 91.51 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 11' ' ' VAL . 37.5 mttp -60.84 137.7 58.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.3 112.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -144.64 176.88 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.1 159.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.42 133.4 24.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -174.59 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.0 tp -80.4 142.43 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.0 m -44.23 125.69 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.34 169.96 36.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.21 39.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.751 2.3 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.9 p -110.08 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -41.86 148.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -88.16 177.36 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -120.0 -47.12 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.24 99.64 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -164.91 109.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -112.33 161.41 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.14 -43.1 1.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtt -49.35 162.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.66 166.41 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -139.89 171.14 14.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 12' ' ' ILE . 9.8 p -158.75 143.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' N ' HG21 ' A' ' 11' ' ' VAL . 18.4 mt -102.12 103.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -78.62 106.74 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.94 142.11 27.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -94.03 138.13 32.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -124.28 108.27 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 m -95.24 98.58 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.27 148.08 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.75 132.85 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 63' ' ' LEU . 5.6 mt -107.57 149.48 27.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 49.8 mt-30 -112.83 124.4 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -56.48 96.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 8.7 t0 -51.31 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.4 m -42.27 -76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -111.98 -57.93 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' CD ' HD11 ' A' ' 54' ' ' LEU . 13.6 mtt-85 -44.08 -38.74 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 79.77 -141.61 23.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -50.06 -18.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.59 52.56 44.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.1 pt -142.68 158.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.74 133.11 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 m -103.03 150.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -140.17 144.58 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -179.62 20.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.47 157.95 16.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -68.28 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.21 -27.64 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.83 58.82 41.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.84 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.5 t-80 -53.53 -37.02 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -32.6 106.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -32.49 -53.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -59.27 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 125.44 21.53 2.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.422 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.08 111.37 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.6 p -82.38 46.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.5 m -128.56 124.58 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.54 126.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -131.37 154.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mm -86.38 98.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -89.33 13.81 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -156.42 125.48 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.3 t -135.05 93.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' CD2' ' HA3' ' A' ' 57' ' ' GLY . 9.2 tp -33.51 112.09 0.39 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.42 13.3 5.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -111.11 -159.28 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -37.74 8.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -57.29 -46.12 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -48.13 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 127.09 -52.2 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.84 -46.76 70.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 20' ' ' LEU . 79.3 mt -124.99 167.28 14.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -130.37 179.68 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.18 144.87 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.75 40.07 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.491 ' OD2' ' CG2' ' A' ' 100' ' ' VAL . 11.0 t0 -89.54 90.35 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.5 mpt_? -37.35 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 t -78.02 131.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.34 -58.51 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.471 ' CE ' HG23 ' A' ' 99' ' ' VAL . 9.3 ttp -130.01 147.4 51.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.468 ' N ' ' HG2' ' A' ' 71' ' ' MET . 69.4 t -135.29 104.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 64.19 27.93 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.1 26.15 24.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 m -130.11 126.84 22.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt -95.41 13.57 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.88 125.51 34.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 t70 65.35 42.04 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -122.78 170.56 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.01 153.05 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -54.62 -39.04 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -67.57 -29.15 68.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -74.12 -41.86 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.67 80.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.39 -36.1 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -43.45 -57.14 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -48.35 -42.25 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.32 -54.19 49.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.7 ptm85 -65.37 -26.04 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -74.6 -40.95 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -53.68 153.51 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.35 -90.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -112.07 -37.41 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 46.0 mm -115.11 133.48 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.58 138.8 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.55 132.12 47.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 99' ' ' VAL . 82.3 mt -131.5 136.87 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 71' ' ' MET . 20.9 t -113.45 98.85 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.491 ' CG2' ' OD2' ' A' ' 67' ' ' ASP . 33.9 m -100.88 169.66 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -138.01 118.07 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -105.96 135.99 19.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.73 18.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' LYS . 16.8 ttt180 -110.86 60.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 104' ' ' ARG . 14.2 mtmt -34.45 141.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.53 90.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 105' ' ' LYS . 27.7 mt-30 -82.08 145.51 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.52 155.31 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -45.92 132.93 6.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 111' ' ' LEU . 53.5 Cg_endo -69.78 -177.29 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 110' ' ' PRO . 3.6 pp 32.77 44.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 t -73.03 127.14 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.01 -123.96 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.36 11.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.8 p -120.54 175.88 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.9 m -101.77 130.52 48.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.523 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -135.93 160.85 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -171.18 176.7 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.95 145.67 16.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -164.69 169.4 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -173.16 156.95 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.49 93.22 1.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttt -139.85 143.22 36.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.82 153.51 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -133.0 171.9 13.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 105' ' ' LYS . 11.1 p -141.4 140.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.39 105.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.431 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 53.3 m95 -78.83 113.13 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HG3' ' NE ' ' A' ' 104' ' ' ARG . 15.1 mm-40 -99.3 143.18 29.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -93.97 148.36 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -132.57 119.64 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -104.86 100.03 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.93 142.62 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.83 131.06 53.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 62' ' ' LEU . 5.4 mt -107.06 142.84 36.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 41.3 mt-30 -99.08 131.65 44.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -64.85 89.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 9.3 t70 -55.44 166.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.0 p -44.56 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -110.03 -21.59 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.8 mmt180 -106.49 58.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -24.41 -90.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 29' ' ' GLY . 9.6 m-85 -101.6 6.04 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 32.89 50.7 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.414 HG12 ' CB ' ' A' ' 28' ' ' PHE . 7.6 pt -141.62 165.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -148.27 142.46 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG13 ' CG2' ' A' ' 48' ' ' ILE . 9.1 m -110.07 149.2 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 m -144.59 133.71 22.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.92 176.63 15.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.23 170.92 35.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -72.34 -12.69 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.85 -27.64 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -133.61 66.26 73.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.6 Cg_endo -69.73 80.95 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -37.18 -54.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 49' ' ' VAL . 1.6 m-85 -32.75 117.26 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -55.81 -28.24 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -70.35 -26.71 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.71 20.9 8.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 14.1 tt0 -77.1 125.75 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -101.96 50.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -119.54 132.96 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.491 ' CD1' ' N ' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -65.38 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.85 152.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 3.0 mm -84.53 106.88 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.438 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.5 t -96.86 17.53 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 3.7 m-20 -162.14 121.89 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 54' ' ' LEU . 45.4 t -134.45 94.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.5 tp -33.76 106.75 0.28 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.8 Cg_endo -69.73 0.16 6.02 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.55 9.62 3.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -110.58 -156.89 15.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.86 19.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.61 -45.33 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -46.18 89.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.49 -52.91 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 20' ' ' LEU . 84.3 mt -63.89 -51.1 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.5 mt -119.92 174.99 6.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -141.87 169.14 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.16 145.59 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 66.02 37.88 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 31.5 p-10 -91.91 91.07 7.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -45.18 100.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 48' ' ' ILE . 12.7 t -76.17 126.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.61 -47.47 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ttm -137.75 148.54 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -141.98 109.92 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 59.76 27.6 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 26.9 24.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -132.98 130.05 21.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.549 0.69 . . . . 0.0 111.159 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 127.98 15.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.404 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.3 mmt -106.29 22.38 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -96.26 124.57 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.9 41.07 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.2 m -114.94 171.32 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.8 147.01 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -49.62 -41.68 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -69.28 -29.0 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.4 t80 -69.82 -44.66 69.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' CG1' ' A' ' 48' ' ' ILE . . . -62.73 -47.94 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.6 p -64.7 -42.92 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -38.72 -58.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -46.63 -40.38 12.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.24 -54.57 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -65.98 -15.84 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -85.13 -31.0 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -63.62 133.68 54.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.84 -87.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -114.6 -48.01 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 21.0 mm -101.88 128.85 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.08 143.51 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.0 121.42 44.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.6 mt -127.49 126.76 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.76 98.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.5 m -99.06 174.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -139.35 133.39 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -122.72 138.68 29.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.74 122.22 8.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 105' ' ' LYS . 7.8 ttm180 -109.53 73.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.464 ' N ' HG22 ' A' ' 11' ' ' VAL . 24.2 mttm -34.15 141.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 p -81.34 69.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.14 161.81 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.18 132.79 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -101.47 113.21 65.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -174.74 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.275 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.22 132.57 46.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -110.51 -176.5 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.58 127.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -168.32 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.4 t -104.64 118.54 36.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -83.34 59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -42.68 104.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -147.04 138.05 23.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.91 63.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -116.83 108.65 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -55.07 126.51 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.94 -76.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -144.67 158.67 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 54.68 42.48 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -126.84 178.56 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 105' ' ' LYS . 6.4 p -149.57 135.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -109.77 105.93 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 63.0 m95 -78.94 106.17 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.99 134.83 35.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -93.37 140.06 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.23 112.19 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -101.42 101.74 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.36 153.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.13 128.74 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 62' ' ' LEU . 2.7 mt -109.61 154.04 23.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 66.7 mt-30 -107.67 137.6 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -72.09 92.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 15.6 t0 -56.21 -175.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -66.29 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -14.01 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' ' C ' ' A' ' 27' ' ' GLY . 27.4 mmt180 -121.85 64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.527 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . -26.89 -93.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 18.1 m-85 -95.28 10.92 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.8 59.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -147.57 158.81 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -143.42 128.45 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 82' ' ' HIS . 18.3 m -96.95 144.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -134.14 141.14 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.75 -158.91 14.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.15 144.44 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -45.11 -34.98 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.94 -14.29 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -133.25 60.69 50.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 79.91 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.8 t-80 -45.86 -41.59 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -31.41 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.5 tt0 -31.98 -45.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.01 -66.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.84 71.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -123.76 114.35 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -81.6 54.0 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 m -132.67 121.94 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.418 ' CG2' HG12 ' A' ' 32' ' ' VAL . 43.5 mm -58.53 120.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.43 150.04 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.0 mm -82.98 105.33 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.454 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 1.3 t -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 2.3 m-20 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.5 t -130.84 94.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 53' ' ' VAL . 8.0 tp -32.31 109.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.74 21.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.03 31.42 2.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -129.96 -158.99 9.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -31.73 19.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -66.88 -43.89 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -48.75 92.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.56 -51.6 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 20' ' ' LEU . 62.7 mt -69.02 -49.82 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.9 mt -119.05 170.65 8.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -141.66 169.61 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 138.6 54.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 73.88 31.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ARG . 49.7 p-10 -83.67 78.81 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -34.89 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 130.93 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -109.72 -51.58 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.37 152.83 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.27 104.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 60.61 29.1 18.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.81 23.5 30.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -127.08 126.94 24.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.04 11.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.8 mmt -106.48 14.8 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.11 123.98 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 63.32 46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.41 168.18 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.71 144.71 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.521 ' CE1' HG23 ' A' ' 32' ' ' VAL . 3.1 t60 -44.88 -48.26 11.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.0 p -55.96 -42.8 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.43 -38.06 85.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.07 12.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 87' ' ' GLN . 3.2 p -60.71 -35.42 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.7 -58.26 2.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -50.55 -40.94 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.84 -53.55 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 6.9 ptm180 -63.12 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -70.07 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -51.86 130.98 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.54 -80.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -122.89 -37.72 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.442 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 40.2 mm -113.94 141.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.98 134.68 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.68 122.16 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.7 mt -118.71 141.5 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.75 98.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -98.99 -176.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -153.18 122.7 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -113.09 123.82 32.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 118.4 5.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 3.5 ttm180 -93.21 43.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' CB ' HG22 ' A' ' 11' ' ' VAL . 16.9 ttpt -36.17 145.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -97.94 112.14 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -133.04 153.07 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.54 142.88 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -164.75 148.24 7.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.529 0.68 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 160.38 49.93 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 pp -100.88 146.47 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -118.91 154.77 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 176.97 116.26 0.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 161.73 44.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.755 2.303 . . . . 0.0 112.313 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.4 p -137.21 151.57 48.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLY . 1.9 t -136.24 158.96 43.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -131.44 132.06 44.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.374 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -153.29 155.31 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.93 104.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -163.71 172.55 14.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -139.43 154.29 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.2 -97.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -151.9 163.17 39.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -40.16 146.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.82 177.04 5.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 13' ' ' TRP . 2.2 t -135.57 127.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 mt -111.78 99.21 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 80.0 m95 -78.06 101.95 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -96.01 144.66 26.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.29 148.72 21.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -134.71 107.92 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -88.14 98.97 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.27 146.67 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.09 129.57 49.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mt -108.11 143.83 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -109.26 125.19 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -55.71 101.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.53 -177.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 m -41.48 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -111.98 -57.08 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -41.01 -46.37 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.21 -129.69 9.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.57 -4.77 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.42 55.22 6.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 20.1 pt -149.11 162.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -148.8 146.68 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 ' CG2' ' A' ' 48' ' ' ILE . 18.7 m -115.42 152.12 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.58 145.16 28.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 48' ' ' ILE . . . 83.59 106.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA2' ' CD1' ' A' ' 48' ' ' ILE . . . -111.34 -156.77 14.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -89.43 -8.61 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.419 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.5 m-20 -121.75 -28.19 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -127.55 57.21 23.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.86 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 1.3 t-80 -49.57 -35.33 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' GLU . 2.0 t80 -33.93 109.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.3 pp20? -33.1 -54.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.67 -74.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.92 32.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' OE1' ' NE ' ' A' ' 68' ' ' ARG . 8.8 tt0 -77.47 113.2 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -91.61 47.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.5 ' CB ' ' HD2' ' A' ' 68' ' ' ARG . 18.1 m -123.17 99.21 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CD1' ' HA2' ' A' ' 35' ' ' GLY . 5.6 mm -34.02 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.64 145.64 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' CG2' HG22 ' A' ' 53' ' ' VAL . 3.3 mm -81.49 106.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -100.18 17.85 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 5.5 m-20 -157.08 115.85 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.8 t -131.3 93.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD21 ' CA ' ' A' ' 57' ' ' GLY . 4.0 tp -33.5 122.09 0.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.8 24.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.98 23.08 2.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.478 ' CA ' HD21 ' A' ' 54' ' ' LEU . . . -107.56 -164.47 21.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.02 21.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.317 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -88.16 6.46 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 2.2 p-10 -80.04 42.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.87 -28.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.4 mt -80.73 -46.09 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.55 171.74 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.425 ' CD ' ' HD3' ' A' ' 102' ' ' ARG . 7.3 pt20 -134.76 169.15 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.37 149.01 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 62.63 31.19 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 100' ' ' VAL . 7.6 t0 -91.0 116.58 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.551 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 mmt85 -65.95 109.85 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 61.4 t -77.44 127.59 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.91 -55.09 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttm -132.26 154.49 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -145.38 105.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 61.42 25.39 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 26.62 16.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.445 HG23 ' NE2' ' A' ' 88' ' ' GLN . 91.5 m -129.11 128.81 23.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 88' ' ' GLN . 9.3 mmt -100.33 11.37 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -87.88 121.77 30.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 t0 67.01 44.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.59 171.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' ASP . 44.5 mt -83.57 139.75 32.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.468 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.5 t60 -45.4 -32.82 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 m -73.98 -37.07 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.58 -40.65 89.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' CB ' HG13 ' A' ' 48' ' ' ILE . . . -60.07 -50.71 72.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' GLN . 2.6 p -62.36 -42.04 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER -35.91 -63.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' ' CE ' ' A' ' 77' ' ' MET . 93.0 mm-40 -37.47 -39.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.3 mt -61.69 -56.03 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 2.5 ptm180 -60.92 -40.4 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -58.9 -61.81 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 1.9 t -37.89 138.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.09 -74.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -132.91 -35.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.7 mm -111.85 134.14 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.44 145.59 51.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.91 92.64 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.2 mt -93.64 134.74 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.35 98.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 67' ' ' ASP . 27.8 m -100.73 176.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 68' ' ' ARG . 35.7 pttt -139.46 120.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HD3' ' CD ' ' A' ' 64' ' ' GLN . 18.0 mtt180 -110.83 134.84 20.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.8 137.1 34.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -114.62 64.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -40.45 148.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.5 t -89.26 128.53 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -169.77 174.68 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -93.99 145.09 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 129.65 34.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.98 67.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.76 158.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.9 t -140.46 121.68 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.03 39.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.34 19.15 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.34 154.68 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -104.93 151.05 24.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -104.08 178.2 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -156.48 175.31 14.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.4 119.3 3.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 36.7 m -107.46 -41.15 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.846 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 49.6 m -34.52 150.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.6 154.4 10.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptm -175.02 137.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -149.11 171.76 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -104.58 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 12' ' ' ILE . 11.9 p -148.76 147.3 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.495 ' N ' HG21 ' A' ' 11' ' ' VAL . 34.2 mt -107.99 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -79.15 104.88 10.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.8 149.88 21.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 7.7 mt-30 -93.84 158.75 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 16.2 m-85 -140.47 107.61 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -96.83 99.94 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.43 160.93 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.9 133.19 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 62' ' ' LEU . 5.3 mt -111.26 143.04 42.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -101.37 134.34 44.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -65.58 91.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.73 -179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -39.01 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLY . 38.7 mmtt -111.87 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' LYS . 41.1 mmt-85 -34.24 -35.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 78.95 -117.65 4.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLY . 35.2 m-85 -81.73 10.06 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.94 45.78 1.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.1 pt -144.49 150.24 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -138.04 135.61 36.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 48' ' ' ILE . 15.8 m -96.44 157.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 p -143.8 165.62 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.21 -153.72 36.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.85 165.57 13.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.96 -26.51 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -106.93 -19.68 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.71 57.73 30.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 79.54 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -89.17 74.41 8.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -134.88 25.74 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 39.87 24.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' PHE . 9.3 t30 -134.95 -45.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.3 28.94 3.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 127.75 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 p -97.64 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 162.25 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.46 ' CG2' HG12 ' A' ' 32' ' ' VAL . 33.0 mm -99.52 118.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 1.5 m -117.93 168.29 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 65' ' ' GLU . 22.9 mm -92.75 106.69 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -97.58 15.49 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 9.2 t70 -160.96 122.55 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' LEU . 87.3 t -132.27 93.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD2' ' HA3' ' A' ' 57' ' ' GLY . 7.7 tp -35.26 109.85 0.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.6 26.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.13 31.27 2.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 54' ' ' LEU . . . -130.46 -155.09 8.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.85 -52.4 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -38.5 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.26 -49.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 20' ' ' LEU . 15.3 mt -69.65 -52.39 26.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 20' ' ' LEU . 25.6 mt -116.74 169.82 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.429 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 5.2 pt20 -140.04 161.34 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 2.4 tt0 -66.22 138.67 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.444 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 2.1 m120 74.98 38.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 26.3 m-20 -98.1 93.16 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -41.8 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' ASP . 43.0 t -68.46 106.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -82.67 -62.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 14.9 ttp -127.37 150.08 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.494 ' N ' ' HG2' ' A' ' 71' ' ' MET . 99.6 t -136.79 105.21 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 61.21 29.48 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.75 29.41 18.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -131.66 127.3 21.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.9 mmt -99.91 15.42 27.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.65 120.16 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.1 43.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.512 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 16.6 m -119.24 175.0 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' PHE . 93.4 mt -91.15 144.52 25.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -42.91 -45.58 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.5 p -64.6 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.512 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 86.9 t80 -64.43 -40.17 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 48' ' ' ILE . . . -64.52 -50.75 66.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.96 -36.67 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.99 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -52.17 -38.99 59.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.19 -55.18 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.2 ptm85 -60.88 -33.78 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.86 -50.75 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -46.06 134.83 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.17 -85.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -122.94 -37.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 mm -107.35 137.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.26 147.34 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.13 136.15 50.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 99' ' ' VAL . 51.8 mt -130.11 136.98 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.485 HG21 ' CE ' ' A' ' 71' ' ' MET . 19.6 t -114.35 99.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 31.2 m -109.39 160.86 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -125.27 119.37 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -106.21 139.71 20.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.15 4.91 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' LYS . 11.3 ttt85 -109.69 74.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 104' ' ' ARG . 21.2 mttm -34.45 136.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 107' ' ' GLN . 24.0 t -57.69 142.25 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.404 ' N ' HG11 ' A' ' 106' ' ' VAL . 3.9 pt20 -101.33 85.32 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' ALA . 13.9 m -126.87 162.98 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' VAL . . . -34.3 142.87 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.74 20.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 111' ' ' LEU . 4.3 mm? -43.44 98.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 t -66.25 85.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -177.79 -148.7 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' SER . 53.6 Cg_endo -69.74 1.63 4.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' PRO . 42.7 t -36.98 140.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -89.16 111.56 22.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -87.31 115.53 24.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -137.2 124.56 21.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -52.84 0.11 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -133.44 134.08 43.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.809 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 p -127.22 148.77 50.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.14 56.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.32 165.71 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.31 162.38 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -140.06 -176.01 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.469 HG11 ' NE1' ' A' ' 13' ' ' TRP . 13.0 p -155.27 141.03 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' N ' HG21 ' A' ' 11' ' ' VAL . 16.6 mt -101.65 103.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 59.3 m95 -78.71 104.44 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.03 141.7 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.86 136.52 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.88 108.8 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 m -96.54 98.0 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.75 156.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.77 124.93 51.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 62' ' ' LEU . 7.0 mt -99.49 147.85 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -112.43 128.14 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -58.59 115.71 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' SER . 5.2 t70 -84.24 -178.55 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 62.2 m -38.59 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -112.21 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' CD ' HD11 ' A' ' 54' ' ' LEU . 32.7 mmt180 -44.76 -42.72 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 -90.23 1.36 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -108.08 4.83 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.29 51.19 2.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -143.39 148.22 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . . . -136.51 125.72 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 29.5 m -99.5 154.74 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -144.53 141.32 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.68 -146.41 17.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.51 131.56 3.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -48.11 -19.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -110.13 -22.9 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 18.5 t30 -131.03 60.43 53.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 80.48 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.7 t-80 -48.93 -37.67 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -35.2 99.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.5 pt-20 -31.41 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 25.2 t-20 -62.41 -60.03 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.05 30.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.74 126.01 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -86.07 48.23 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.3 m -115.67 143.06 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 14.1 mm -84.9 111.78 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -117.37 157.2 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -86.56 105.79 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.1 t -95.65 16.98 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 6.3 m-20 -163.43 120.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -128.58 93.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD21 ' N ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -34.22 116.61 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.31 20.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.512 ' N ' HD21 ' A' ' 54' ' ' LEU . . . -108.97 -165.28 20.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -24.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.34 8.92 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.7 p-10 -82.45 42.91 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.15 -32.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 20' ' ' LEU . 13.6 mt -77.97 -36.84 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.62 161.62 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 10.1 pt20 -131.86 166.15 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.75 144.84 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 70.94 30.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 69' ' ' VAL . 9.8 m-20 -79.12 70.49 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.51 ' NH2' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -32.19 94.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' ASP . 38.5 t -67.65 121.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -101.88 -54.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 ttm -133.08 148.38 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.3 t -138.36 104.92 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 60.45 28.9 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.55 24.78 27.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.455 HG22 ' NE2' ' A' ' 88' ' ' GLN . 25.6 m -127.15 126.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.462 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 10.7 mmt -98.82 13.39 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -92.96 122.49 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t0 67.34 42.18 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -121.12 166.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.2 146.52 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -49.87 -45.29 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -71.14 -37.44 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.11 -49.38 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -66.04 -36.09 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.0 tp60 -43.58 -57.71 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' NE2' HG22 ' A' ' 75' ' ' THR . 76.1 mm-40 -50.73 -37.34 41.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 mt -68.15 -49.49 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.9 ptp180 -69.99 -19.31 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -81.21 -45.53 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -47.66 138.43 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.29 -73.02 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -133.78 -44.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.22 129.64 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.24 151.26 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.74 110.58 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.14 139.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.66 98.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -106.87 165.22 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -107.25 135.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 7.2 ttt85 -99.86 82.41 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -51.24 135.01 26.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.6 t -66.6 75.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -151.52 165.03 35.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.92 154.97 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.68 147.08 54.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 156.47 63.06 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.45 173.82 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.5 t -147.35 168.24 22.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -122.98 -176.13 14.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 118.06 5.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.6 p -122.61 142.96 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.7 t -140.35 156.21 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -111.89 148.26 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -58.94 146.3 38.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.14 151.19 27.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -129.65 -53.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -92.91 110.52 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.32 38.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 mtm -71.7 163.94 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.727 0.298 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 54.3 34.53 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.0 -178.8 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.533 HG12 ' CD1' ' A' ' 13' ' ' TRP . 2.4 t -151.76 137.28 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mt -114.19 98.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 77.5 m95 -78.57 101.96 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 10.5 mt-10 -95.24 142.02 28.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.67 134.23 35.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.16 123.07 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.6 m -105.61 97.7 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' HD22 ' A' ' 63' ' ' LEU . 2.5 m -123.84 152.49 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.64 132.73 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -107.25 147.31 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 55.5 mt-30 -105.49 131.77 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -66.01 86.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 2.8 t70 -55.5 164.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.6 p -35.63 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -29.93 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.641 ' O ' ' C ' ' A' ' 27' ' ' GLY . 33.3 mmt180 -90.36 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -12.92 -95.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.02 4.01 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 36.37 58.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -147.45 153.62 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -134.74 121.55 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 50' ' ' ILE . 34.6 m -98.28 155.35 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -146.48 148.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -151.28 19.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.24 125.92 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 11.6 ptm180 -55.2 -17.1 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 -27.89 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -132.6 64.78 72.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.0 t-80 -50.13 -43.39 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.2 t80 -30.87 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.4 tt0 -31.21 -57.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.04 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.69 73.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' THR . 22.5 tt0 -134.99 83.31 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' GLU . 72.3 p -32.93 -41.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -38.99 130.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.27 140.84 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.15 140.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.438 ' CG2' HG23 ' A' ' 53' ' ' VAL . 25.2 mm -78.34 97.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -87.67 20.23 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 31.4 t0 -164.19 122.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' CG2' ' A' ' 50' ' ' ILE . 72.0 t -134.43 93.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.6 tp -38.37 114.77 0.81 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.19 34.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.22 16.95 8.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.47 -163.02 14.38 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.04 24.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.9 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.48 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.64 -53.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -44.48 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 18' ' ' VAL . 87.4 mt -130.27 169.84 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 3.1 pt20 -135.95 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 3.5 tt0 -66.34 146.82 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.66 40.81 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' VAL . 2.4 m-20 -80.53 91.27 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' ASP . 36.2 t -62.38 122.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.07 -50.47 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttm -136.5 150.68 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.54 108.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 53.05 32.48 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.74 25.57 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 m -127.23 128.75 24.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.76 10.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.449 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mmt -104.84 11.38 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.88 122.91 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.1 44.81 4.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.4 m -122.0 162.42 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.11 148.11 46.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.87 -27.41 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 t -77.38 -35.93 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.25 -44.54 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.33 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 89' ' ' LEU . 5.4 p -68.28 -43.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -40.06 -51.09 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.2 -33.12 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' VAL . 43.6 mt -70.6 -47.84 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.5 ptm85 -67.86 -15.32 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -85.01 -38.2 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -53.39 123.38 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.18 -76.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -131.49 -36.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.6 mm -111.6 132.17 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.24 140.71 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.1 110.2 21.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.9 mt -113.88 134.17 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.46 99.9 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.4 HG22 ' CD2' ' A' ' 63' ' ' LEU . 18.8 m -107.68 165.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 24.6 pttt -132.04 123.16 26.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.418 HH11 ' CG ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -103.32 127.3 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.827 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 115.72 4.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -99.43 86.25 3.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.7 160.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.2 129.4 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -147.52 -179.02 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.29 133.02 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.64 153.09 8.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.595 0.712 . . . . 0.0 111.063 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.98 58.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.5 139.06 57.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.7 t -162.44 126.09 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.96 -102.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.35 30.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -161.7 158.08 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.1 p 46.32 45.24 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -88.86 143.06 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.398 . . . . 0.0 110.793 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 66.71 42.27 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.1 150.68 8.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.72 135.46 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m 48.81 43.03 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.57 77.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -114.23 170.06 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.704 0.288 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 10' ' ' GLU . 38.7 tt0 -175.03 156.67 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 9' ' ' GLU . 5.7 mm-40 -146.56 179.28 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 12' ' ' ILE . 14.4 p -142.31 146.75 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.485 ' N ' HG22 ' A' ' 11' ' ' VAL . 32.3 mt -104.76 101.66 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.445 ' NE1' HG13 ' A' ' 11' ' ' VAL . 75.0 m95 -78.93 102.87 8.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.98 139.71 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.58 130.1 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-85 -117.67 109.92 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.2 m -101.14 98.54 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.7 148.55 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.31 129.99 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 62' ' ' LEU . 6.8 mt -110.66 147.52 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.11 151.09 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -81.49 93.45 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -56.67 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -44.32 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' ARG . 38.6 mmtt -112.25 -57.68 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' CD ' HD13 ' A' ' 54' ' ' LEU . 29.9 mmt-85 -32.69 -39.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 83.98 -100.76 2.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' GLY . 42.1 m-85 -106.46 10.6 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.06 50.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.5 pt -147.6 142.94 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . . . -134.24 133.38 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 18.9 m -97.4 154.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.2 p -132.57 172.53 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.45 -165.25 54.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.57 143.97 3.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -51.78 -34.45 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.06 -27.6 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -134.96 69.47 70.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.0 t-80 -43.07 -48.67 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -31.11 100.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 43' ' ' ASN . 8.1 pt-20 -35.09 -41.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 24.0 t30 -60.76 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.69 109.61 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.0 p -76.09 47.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.4 m -118.22 129.21 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 39.6 mm -70.28 113.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.25 157.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.1 105.34 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 t -99.49 24.27 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.501 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 18.2 t0 -164.4 121.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.3 t -134.91 93.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.96 106.83 0.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.68 19.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -119.64 -156.57 10.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -37.07 9.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -61.1 -50.67 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.17 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 120.76 -49.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' CB ' HD21 ' A' ' 20' ' ' LEU . 78.0 mt -69.55 -49.42 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.414 ' CD1' HD11 ' A' ' 20' ' ' LEU . 32.8 mt -118.08 169.57 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -139.68 158.53 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.77 150.53 41.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.77 35.57 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.5 m-20 -91.62 84.97 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -37.4 100.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 39.4 t -73.5 112.85 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -90.95 -55.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.41 ' SD ' ' HA2' ' A' ' 74' ' ' GLY . 11.1 ttm -133.79 147.76 51.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.6 t -135.26 101.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 8.6 m-20 60.11 37.41 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.41 ' HA2' ' SD ' ' A' ' 71' ' ' MET . . . 84.44 21.12 57.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.418 HG22 ' CD ' ' A' ' 88' ' ' GLN . 91.1 m -123.18 126.24 25.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.625 2.217 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.441 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mmt -106.8 19.47 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -97.39 113.23 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 72.65 44.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -118.3 169.34 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.06 150.46 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -50.54 -40.25 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 t -68.09 -33.27 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.17 -49.0 76.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.22 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -69.52 -41.97 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' N ' HG11 ' A' ' 86' ' ' VAL . 4.7 tt0 -39.53 -45.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.418 ' CD ' HG22 ' A' ' 75' ' ' THR . 85.7 mm-40 -64.28 -38.28 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' VAL . 77.5 mt -65.88 -53.43 39.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -62.97 -20.93 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -77.36 -28.88 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -63.57 153.87 34.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.55 -66.22 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -132.03 -41.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 96' ' ' ALA . 40.3 mm -111.8 145.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 95' ' ' ILE . . . -142.72 140.57 31.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.065 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASN . . . -108.8 123.41 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.8 mt -122.86 133.06 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.24 98.99 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -105.68 168.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -133.45 123.32 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -107.15 133.87 20.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -105.96 77.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -38.64 137.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.46 125.69 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -154.96 170.1 22.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.1 m -45.44 129.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 114.53 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.558 0.694 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.03 51.2 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.71 93.46 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.6 p -94.76 157.95 15.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.42 174.96 40.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.1 m -82.79 -46.13 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 70.3 m -57.82 138.64 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 75.2 m95 -81.81 109.12 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.34 139.76 34.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -94.1 153.12 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -138.39 111.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -98.36 99.92 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -117.32 149.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.465 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -106.61 129.91 54.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.795 HD23 HD12 ' A' ' 62' ' ' LEU . 3.7 mt -108.3 150.03 27.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 47.5 mt-30 -107.46 128.51 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -62.38 96.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.6 t70 -62.9 -174.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -42.09 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -112.41 -50.02 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -52.22 -20.17 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.462 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 55.1 -110.67 1.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -80.65 4.81 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.24 2.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.608 ' HB ' HD12 ' A' ' 50' ' ' ILE . 7.6 pt -149.86 158.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -140.79 142.64 34.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.31 143.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -136.96 141.88 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.99 -149.29 18.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.18 161.25 9.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -71.7 -9.02 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -122.97 -18.79 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.73 60.05 39.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 81.89 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.9 t-80 -45.26 -38.7 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.3 t80 -33.66 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.7 tt0 -33.68 -47.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -65.23 -55.98 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.71 81.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -131.79 106.92 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -76.28 48.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.3 m -129.62 117.32 20.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.555 HG13 ' HB2' ' A' ' 85' ' ' ALA . 25.0 mm -50.58 128.12 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.04 142.79 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.608 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.4 mm -76.2 105.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -92.17 14.12 17.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 5.0 t70 -162.79 130.08 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 54' ' ' LEU . 42.6 t -134.83 96.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.894 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -34.05 106.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.71 -7.71 21.74 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.17 19.1 4.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.894 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -119.49 -157.97 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.63 16.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -64.5 -44.68 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -44.46 91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 124.24 -51.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 HD23 ' A' ' 20' ' ' LEU . 82.2 mt -66.05 -50.26 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 20' ' ' LEU . 70.6 mt -121.43 169.96 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -139.76 170.32 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.68 140.65 49.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 0.8 OUTLIER 74.17 31.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.568 ' HB2' HG21 ' A' ' 100' ' ' VAL . 41.4 p-10 -86.34 82.96 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -37.7 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.9 t -68.94 129.77 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.24 -51.51 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ttm -135.39 154.75 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -146.42 105.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 61.09 25.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 29.96 10.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.7 m -134.43 126.43 18.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.99 6.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.3 mmt -97.36 15.9 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.48 124.33 33.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 60.83 42.05 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -117.21 162.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.89 141.85 44.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -45.57 -41.99 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -64.82 -36.32 83.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -64.36 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.555 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.75 -50.36 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.43 -40.98 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.8 tp60 -38.45 -58.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -49.74 -39.11 36.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.68 -50.6 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.1 ptm85 -67.5 -26.96 66.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -74.93 -39.07 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLY . 3.1 t -59.1 117.06 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.75 -81.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -132.85 -31.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 24.9 mm -111.55 127.08 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.22 152.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.16 115.32 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 50.6 mt -114.73 138.19 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.97 99.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 67' ' ' ASP . 5.2 m -105.86 159.88 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -123.95 138.9 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -121.48 138.66 28.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.779 0.323 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 60.2 m95 -78.83 106.8 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -98.13 148.25 23.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -94.02 131.42 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.68 111.63 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -99.42 98.14 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -119.73 144.49 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.632 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -97.78 132.84 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.772 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.4 mt -111.92 155.03 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 72.8 mt-30 -111.15 136.32 50.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -69.41 87.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.71 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -40.2 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' GLY . 36.2 mmtt -111.72 -57.26 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -42.64 -24.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 25' ' ' LYS . . . 67.73 -123.93 20.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -72.34 1.42 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 45.84 58.11 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.54 HG23 ' HB2' ' A' ' 59' ' ' ALA . 2.2 pt -155.17 144.18 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.839 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -129.65 132.91 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 48' ' ' ILE . 25.0 m -106.17 139.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -125.77 156.55 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 -154.18 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.96 149.68 5.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 36' ' ' ARG . 3.3 ppt_? -63.72 -9.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -116.36 -28.05 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -134.38 65.7 68.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 83.13 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -34.0 -51.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.3 m-85 -32.68 109.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.1 -32.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -68.12 -49.12 63.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.44 52.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -99.87 115.36 29.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.9 p -85.11 42.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.1 m -121.04 132.51 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.611 HG13 ' HB2' ' A' ' 85' ' ' ALA . 40.2 mm -67.01 124.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.84 148.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.472 HD12 ' HB ' ' A' ' 30' ' ' ILE . 8.5 mm -85.54 105.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -97.5 14.41 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.839 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.8 m-20 -159.07 119.4 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -129.57 93.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.493 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -35.3 105.72 0.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.76 1.0 4.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' H ' ' CD2' ' A' ' 54' ' ' LEU . . . -135.14 13.3 4.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -116.51 -156.09 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.6 6.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -58.72 -44.33 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -45.68 90.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.4 -50.68 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.772 ' CD1' HD23 ' A' ' 20' ' ' LEU . 97.6 mt -65.45 -51.4 60.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 20' ' ' LEU . 25.8 mt -117.99 169.54 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.63 173.7 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.64 150.28 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 62.31 25.03 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG21 ' A' ' 100' ' ' VAL . 5.8 m-20 -82.91 80.59 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 110.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 100' ' ' VAL . 12.5 t -77.88 136.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.59 -40.36 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ttm -144.81 150.95 38.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.1 t -142.65 105.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.89 27.66 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.16 23.43 27.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -128.55 126.76 23.53 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.635 0.731 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 124.17 10.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.0 mmt -102.77 22.4 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -96.35 121.4 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.15 44.17 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -117.73 171.46 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.5 mt -80.16 144.47 32.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.12 -39.01 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.3 m -70.67 -31.56 68.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.77 -46.41 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.611 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -57.94 -49.85 75.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -64.88 -41.84 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 4.7 tp60 -38.33 -58.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -49.18 -36.23 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' VAL . 39.1 mt -64.51 -54.83 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.7 ptm85 -62.1 -29.54 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.38 -49.48 48.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -50.39 123.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.31 -84.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -128.06 -28.87 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 37.0 mm -113.92 131.16 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.07 48.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.1 100.0 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 72' ' ' VAL . 70.3 mt -101.47 135.88 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.67 99.32 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 69' ' ' VAL . 10.4 m -104.33 170.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -129.94 119.65 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -106.67 139.66 20.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.772 0.32 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -79.57 106.12 11.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.77 136.88 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -93.88 155.04 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -142.31 108.99 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -91.19 101.77 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -124.05 144.3 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -109.55 133.51 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.857 HD23 ' CD1' ' A' ' 62' ' ' LEU . 1.3 mt -106.76 160.07 15.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 39.3 mt-30 -113.51 125.27 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -58.04 87.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.47 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -43.17 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -112.68 -50.37 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 -48.69 -19.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.68 -107.94 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' ILE . 20.2 m-85 -87.61 4.38 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.55 60.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 59' ' ' ALA . 3.4 pt -152.01 153.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -140.09 120.3 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 48' ' ' ILE . 26.6 m -93.96 158.61 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -136.11 176.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.413 ' C ' ' HA ' ' A' ' 39' ' ' PRO . . . 99.16 -144.78 17.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.94 138.73 4.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -63.63 -33.96 76.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -103.11 -26.52 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -133.35 64.24 68.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' C ' ' A' ' 34' ' ' GLY . 53.9 Cg_endo -69.69 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.328 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.2 t-80 -52.77 -40.26 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.1 t80 -33.66 105.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.7 pp20? -33.67 -49.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t-20 -58.21 -45.78 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 119.79 22.19 3.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 129.03 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -92.54 46.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.1 t -121.89 124.2 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 35.2 mm -60.65 106.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -118.4 140.04 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.3 mm -74.92 106.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.467 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 5.5 t -94.41 9.38 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -158.83 125.91 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.457 HG13 ' HB1' ' A' ' 59' ' ' ALA . 55.3 t -132.52 97.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.597 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -38.93 111.05 0.62 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.544 0.688 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.2 Cg_endo -69.8 -7.92 22.29 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.16 2.05 8.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -101.33 -161.8 27.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.97 19.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.23 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.857 ' CD1' HD23 ' A' ' 20' ' ' LEU . 94.9 mt -63.85 -50.57 68.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.424 HD12 HD11 ' A' ' 20' ' ' LEU . 89.9 mt -121.64 167.65 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.67 -179.55 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.3 tt0 -80.08 140.18 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' GLU . 1.3 m-80 74.99 25.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.605 ' OD2' HG11 ' A' ' 100' ' ' VAL . 23.7 p-10 -80.38 79.12 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HE ' ' CB ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -35.71 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.2 t -69.93 130.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -109.95 -57.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.486 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 6.2 ttp -130.41 146.5 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.553 HG23 ' HG3' ' A' ' 77' ' ' MET . 63.1 t -134.49 103.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 64.03 28.71 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.03 24.53 29.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.7 m -128.45 127.41 23.64 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG3' HG23 ' A' ' 72' ' ' VAL . 7.4 mmt -95.64 14.67 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.16 123.09 32.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t70 64.75 42.92 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.64 165.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.51 146.84 44.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -55.19 -24.39 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.1 t -84.72 -29.08 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.72 -36.46 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 17.6 tt0 -44.71 -55.23 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -54.89 -34.36 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.64 -46.44 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 6.3 ptp180 -72.12 -9.81 58.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -91.2 -48.51 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 t -46.77 119.33 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.23 -85.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -127.11 -35.88 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 21.8 mm -110.02 126.87 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 92' ' ' SER . . . -127.68 148.28 50.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 127.14 53.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.1 mt -123.06 136.39 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.52 98.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 67' ' ' ASP . 10.3 m -105.91 156.47 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -128.49 122.91 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.0 mtt-85 -104.3 131.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -79.34 104.71 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.15 142.68 27.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -93.8 130.32 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 4.3 m-85 -110.25 109.32 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -88.8 97.87 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.09 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.29 137.11 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 62' ' ' LEU . 5.3 mt -104.22 141.17 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 50.6 mt-30 -107.37 128.45 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -53.44 94.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -49.95 179.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -37.64 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ARG . 26.8 mmtt -111.69 -61.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' LYS . 37.8 mmt-85 -35.9 -44.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.76 -128.95 9.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -67.5 -4.14 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.74 56.22 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 59' ' ' ALA . 7.2 pt -151.79 157.54 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.58 139.05 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' HG23 ' A' ' 48' ' ' ILE . 17.8 m -100.75 158.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 p -139.88 147.02 40.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.23 -177.41 36.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.69 145.36 6.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' N ' ' A' ' 80' ' ' VAL . 4.3 ppt_? -47.47 -20.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.15 -20.59 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -130.76 60.6 54.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.5 t-80 -47.55 -38.81 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' HIS . 3.1 t80 -32.39 103.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -33.12 -53.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -57.78 -57.89 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.72 76.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -128.33 118.04 22.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 p -81.15 49.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.5 m -127.0 109.08 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.519 HG13 ' HB2' ' A' ' 85' ' ' ALA . 46.1 mm -48.98 127.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -130.24 153.3 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.0 mm -84.6 103.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 t -93.14 18.94 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.828 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.8 m-20 -161.13 117.5 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.628 HG13 ' HB1' ' A' ' 59' ' ' ALA . 79.4 t -127.96 93.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.915 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.8 tp -33.24 108.85 0.31 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.0 Cg_endo -69.69 0.59 5.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.51 15.45 3.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.915 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -117.36 -155.5 10.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -41.07 4.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -55.34 -50.07 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.08 89.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 136.18 -56.21 0.7 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 20' ' ' LEU . 13.7 mt -68.83 -61.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 100' ' ' VAL . 74.9 mt -108.84 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' OD1' ' A' ' 67' ' ' ASP . 3.8 pt20 -142.13 170.37 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.6 tt0 -63.47 139.73 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 73.05 44.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' HG12 ' A' ' 49' ' ' VAL . 17.1 m-20 -93.36 106.52 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.7 mpt_? -57.6 91.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 77' ' ' MET . 15.7 t -62.44 123.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.97 -60.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ttm -131.27 148.62 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 98' ' ' ILE . 97.6 t -138.28 107.1 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 57.77 34.83 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.03 30.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -134.07 127.41 19.1 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.131 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.02 10.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.9 mmt -103.53 13.17 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.64 123.74 33.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.5 45.22 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.435 ' N ' ' HB3' ' A' ' 36' ' ' ARG . 18.0 m -120.54 171.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.07 150.07 28.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -53.9 -38.32 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -71.08 -30.96 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.0 -45.68 80.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -58.26 -52.3 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' LEU . 3.6 p -65.73 -40.26 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.429 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 12.5 tt0 -41.92 -48.94 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -60.89 -32.49 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' VAL . 89.2 mt -73.54 -50.01 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 ptm180 -64.47 -12.2 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 35.6 mtpt -87.58 -39.32 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -50.76 155.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.89 -68.39 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 95' ' ' ILE . 16.9 ttpt -132.95 -33.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.545 HD13 ' O ' ' A' ' 94' ' ' LYS . 17.0 mm -118.16 135.41 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.75 137.17 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.21 121.41 42.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.683 HG23 HG22 ' A' ' 72' ' ' VAL . 20.8 mt -126.95 120.86 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.49 102.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.795 HG21 HD22 ' A' ' 63' ' ' LEU . 33.7 m -107.07 172.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -140.66 122.8 15.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -101.56 138.77 19.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.288 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.349 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -80.8 102.88 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -95.97 139.71 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -93.83 132.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 2.5 m-85 -112.52 109.89 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -96.27 98.56 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.21 154.84 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -111.04 126.98 55.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 62' ' ' LEU . 6.3 mt -105.16 146.08 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 50.6 mt-30 -104.44 136.75 43.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -72.34 90.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.3 t0 -53.91 -175.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.35 -72.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -112.28 -60.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -45.36 -21.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 56.98 -114.55 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CE2' ' CE ' ' A' ' 22' ' ' LYS . 23.4 m-85 -77.18 1.46 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.19 56.31 4.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.532 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -151.1 148.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.76 137.99 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' HG23 ' A' ' 48' ' ' ILE . 30.4 m -106.47 147.49 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -140.16 143.51 36.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.77 -157.03 15.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.9 146.9 4.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ptt85 -60.07 -12.35 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.72 -27.73 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.41 65.13 71.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 79.99 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.89 -44.47 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -34.53 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 41' ' ' PHE . 8.6 pt-20 -32.88 -43.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 18.4 t-20 -63.55 -58.16 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.45 72.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.5 tt0 -121.87 106.16 11.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 p -79.36 52.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.1 m -139.12 110.27 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.6 HG13 ' HB2' ' A' ' 85' ' ' ALA . 47.0 mm -39.3 141.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 HD12 ' HB ' ' A' ' 30' ' ' ILE . 29.7 mm -76.51 107.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -94.64 12.16 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -163.96 129.45 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.485 HG13 ' HB1' ' A' ' 59' ' ' ALA . 71.5 t -133.14 93.63 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.613 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.5 105.77 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.705 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.8 Cg_endo -69.74 4.32 2.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.499 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -140.2 14.24 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.613 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -118.21 -157.36 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.77 23.27 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -69.2 -36.52 77.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -55.53 94.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.858 HD12 HD23 ' A' ' 20' ' ' LEU . 93.9 mt -63.17 -56.87 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 20' ' ' LEU . 76.7 mt -118.58 173.08 7.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.481 ' HA ' HG21 ' A' ' 53' ' ' VAL . 34.4 mt-30 -141.56 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.59 146.21 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.452 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 19.6 m-80 71.23 29.24 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' VAL . 4.8 m-20 -84.18 86.83 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -42.11 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HA ' HG12 ' A' ' 100' ' ' VAL . 43.9 t -65.86 128.83 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -109.34 -54.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.3 ttm -132.88 150.93 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' ' 77' ' ' MET . 92.7 t -143.51 105.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 61.16 30.12 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.31 29.4 22.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -133.45 126.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 0.0 111.087 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.66 7.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.61 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.5 mmt -100.31 13.88 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.84 126.55 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 61.53 45.75 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 173.37 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.0 t-80 -53.24 -37.06 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -70.36 -28.41 65.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -73.36 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.5 -48.53 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.0 p -63.9 -41.6 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.484 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.9 tp60 -40.17 -57.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -49.64 -40.09 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.4 -48.9 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.3 ptp180 -72.41 -15.36 61.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -84.31 -37.84 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -57.93 145.12 36.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.63 -77.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -126.14 -39.76 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 45.3 mm -107.58 134.93 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.73 133.3 44.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.94 120.5 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 100' ' ' VAL . 85.2 mt -120.77 140.3 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.92 99.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 69' ' ' VAL . 30.1 m -107.45 165.26 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -128.41 122.62 31.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 26.3 mtm180 -105.79 133.55 20.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 73.6 m95 -78.22 104.63 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 13.5 mt-10 -99.15 140.48 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.3 131.13 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CB ' HH21 ' A' ' 102' ' ' ARG . 90.6 m-85 -115.96 114.99 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -100.45 99.05 9.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.29 155.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.688 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -108.52 135.97 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 63' ' ' LEU . 3.7 mt -113.02 139.74 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HA ' HD13 ' A' ' 95' ' ' ILE . 55.4 mt-30 -94.98 138.38 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' ASP . 5.7 tttt -71.51 87.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 1.6 t70 -50.18 -177.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.9 p -42.43 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -112.03 -47.99 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -57.97 -11.26 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 52.83 -126.4 32.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.45 -4.82 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.19 49.72 58.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.594 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -143.71 144.71 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -131.68 136.33 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.9 m -103.3 150.5 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -140.62 153.7 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.4 -153.42 18.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 157.75 7.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -17.64 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.31 -23.78 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.46 60.69 44.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 79.95 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.6 t-80 -43.95 -40.79 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' GLU . 3.3 t80 -33.87 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 9.5 pt-20 -33.86 -44.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -60.54 -53.82 52.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.22 20.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.56 130.62 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.394 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 p -98.85 46.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -124.36 113.78 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 32' ' ' VAL . 44.7 mm -47.41 140.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -143.29 154.03 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.594 HD12 ' HB ' ' A' ' 30' ' ' ILE . 32.7 mm -80.85 109.13 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 6.8 t -99.42 16.9 21.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 15.3 m-20 -163.96 120.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' A' ' 59' ' ' ALA . 82.5 t -127.93 93.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.744 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.23 106.26 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.75 4.22 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -143.19 17.22 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.744 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.74 -152.94 9.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -53.3 -48.25 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -42.53 91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.89 -53.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 20' ' ' LEU . 38.1 mt -63.47 -56.96 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 20' ' ' LEU . 82.9 mt -119.87 167.0 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' ' NH1' ' A' ' 102' ' ' ARG . 15.0 mt-30 -132.87 178.32 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.21 149.44 38.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 m120 64.85 30.85 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.47 92.08 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -42.01 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 100' ' ' VAL . 13.7 t -77.3 125.42 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t -106.59 -57.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 2.9 ttp -129.98 145.46 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.3 t -134.93 103.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 64.06 28.49 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.23 22.35 35.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 m -125.92 127.77 24.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.657 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.8 mmt -95.54 15.0 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.5 123.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 65.3 41.71 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.553 ' HB ' ' CD1' ' A' ' 84' ' ' PHE . 11.3 m -116.51 172.2 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.16 149.29 23.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.3 t-80 -51.65 -35.12 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -77.59 -24.28 49.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.553 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 54.2 t80 -75.48 -45.18 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -62.37 -46.98 86.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.057 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.4 p -66.11 -37.92 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -40.19 -58.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -46.74 -42.97 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.76 -54.68 44.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.68 -19.48 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -81.41 -37.58 27.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t -58.23 138.27 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.83 -82.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -124.62 -36.51 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' GLN . 40.5 mm -113.74 130.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.81 148.43 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.22 127.01 53.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.514 HD12 HD12 ' A' ' 20' ' ' LEU . 35.8 mt -125.54 136.24 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.78 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -108.63 162.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 41.8 pttt -127.83 124.58 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.415 HH21 ' CB ' ' A' ' 16' ' ' TYR . 39.9 mtm180 -112.74 129.39 24.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.72 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.483 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 70.8 m95 -79.09 106.39 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -94.93 145.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 m-85 -115.31 110.8 19.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.0 m -98.03 100.08 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.32 144.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.41 130.34 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.891 HD23 HD12 ' A' ' 62' ' ' LEU . 5.9 mt -108.16 139.42 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 58.5 mt-30 -97.51 128.17 44.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE3' ' CZ ' ' A' ' 28' ' ' PHE . 5.4 ttmt -59.71 85.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.06 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.5 m -38.47 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -112.76 -50.26 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . 3.0 mmp_? -47.61 -26.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 -79.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 25.0 m-85 -117.42 4.22 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.82 48.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.6 pt -136.61 150.86 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.088 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -135.1 141.11 45.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.55 143.41 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -135.43 152.49 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.66 -143.55 15.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.19 140.07 4.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -65.37 -8.48 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.75 -27.93 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -134.02 59.97 41.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 81.55 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.508 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -45.26 -41.66 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -28.72 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 41' ' ' PHE . 4.4 tp10 -31.39 -45.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -68.02 -58.5 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.8 76.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 47.7 tt0 -133.56 80.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.6 p -38.75 -38.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 m -46.01 105.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 85' ' ' ALA . 22.5 mm -41.55 143.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -147.3 146.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 30' ' ' ILE . 10.0 mm -80.1 104.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -96.02 18.55 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t70 -164.19 124.59 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.7 t -133.99 93.79 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 56' ' ' GLY . 0.7 OUTLIER -37.51 106.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.8 4.72 2.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.518 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -138.73 10.64 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.481 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -111.34 -159.91 16.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.57 23.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -69.41 -41.98 75.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -45.79 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.25 -48.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.891 HD12 HD23 ' A' ' 20' ' ' LEU . 97.8 mt -66.38 -54.55 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 20' ' ' LEU . 20.6 mt -114.68 175.67 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.46 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 7.5 pt20 -142.01 170.89 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.67 147.01 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 68' ' ' ARG . 35.4 m-80 68.25 33.59 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.46 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 25.5 m-20 -88.46 99.89 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -52.76 96.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.5 t -67.73 122.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.43 -53.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttm -135.19 153.05 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.6 t -141.8 105.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.82 25.02 14.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.48 23.07 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 m -127.19 126.76 24.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.703 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.58 8.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.0 mmt -100.61 19.14 17.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.14 119.21 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 t0 66.05 42.19 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.13 173.11 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -82.69 143.81 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -50.01 -36.29 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -75.29 -26.16 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.08 -39.95 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.44 -48.54 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -64.85 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.9 tp60 -40.72 -58.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -49.03 -39.98 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.0 mt -60.12 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 15.3 ptm180 -67.22 -28.68 68.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -75.44 -28.43 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -61.2 129.05 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.28 -73.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -129.12 -44.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 32.4 mm -106.45 128.62 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.65 128.24 52.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.57 118.74 33.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 100' ' ' VAL . 66.8 mt -119.18 124.6 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -103.77 99.36 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 98' ' ' ILE . 5.0 m -106.28 168.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -133.57 135.25 44.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 32.1 mtt180 -123.13 141.52 36.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 74.7 m95 -78.47 102.51 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.64 142.24 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -93.23 147.55 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -132.31 111.06 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -98.0 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.9 m -122.64 146.22 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.48 131.15 52.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.875 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.8 mt -108.9 158.25 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 35.6 mt-30 -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.92 91.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.7 t70 -56.54 174.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.8 p -54.58 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -110.85 -18.16 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 mmp_? -112.64 61.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -25.11 -91.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 9.7 m-85 -100.87 4.95 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.08 53.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.5 pt -144.03 147.7 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -133.42 131.13 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.14 146.06 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -131.55 128.37 39.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.94 -148.47 20.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.05 116.78 1.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -47.38 -24.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.73 -27.9 9.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -134.71 68.8 72.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 81.88 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.506 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -43.52 -42.89 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -29.74 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.2 mp0 -30.95 -48.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.02 -56.75 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.0 80.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 3.1 tp10 -134.18 120.37 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -87.22 51.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -135.8 122.1 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.96 107.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -121.2 147.83 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.582 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -84.0 103.73 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.0 t -97.16 17.84 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.809 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.7 m-20 -162.59 120.97 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 54' ' ' LEU . 57.1 t -131.91 93.78 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.9 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.33 113.09 0.4 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.56 18.88 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.39 10.69 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.9 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -104.19 -164.7 24.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -26.3 27.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -71.7 -33.9 69.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -52.37 88.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.32 -48.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 20' ' ' LEU . 98.8 mt -66.8 -48.13 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' CD1' HD11 ' A' ' 20' ' ' LEU . 63.4 mt -120.41 169.83 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -136.14 177.15 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.2 tt0 -81.65 140.33 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 10.3 m-80 71.25 36.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.726 ' OD2' HG11 ' A' ' 100' ' ' VAL . 34.0 p-10 -91.32 82.85 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 1.2 mpp_? -42.17 96.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 100' ' ' VAL . 62.8 t -64.92 149.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -125.41 -44.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttm -143.12 149.37 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 77' ' ' MET . 95.7 t -142.13 106.63 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 60.75 26.78 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.73 30.55 11.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -134.7 126.08 17.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.89 8.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.475 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -99.77 18.71 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -93.77 125.67 38.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 61.34 43.67 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.28 166.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.8 146.39 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -47.97 -45.79 31.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 t -61.55 -35.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.05 -43.49 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.23 77.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.9 p -65.36 -42.57 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' VAL . 3.5 tp60 -36.63 -59.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -48.41 -38.31 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 27.0 mt -63.27 -53.44 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 10.8 ptm180 -64.73 -29.01 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.71 -34.62 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t -57.74 133.22 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.24 -69.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -133.36 -43.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.8 mm -106.78 137.79 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.48 137.33 49.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 109.84 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.9 133.59 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.67 98.97 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.726 HG11 ' OD2' ' A' ' 67' ' ' ASP . 13.9 m -104.81 165.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -129.22 132.7 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -121.99 127.73 25.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -80.52 103.11 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -94.97 135.9 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -93.7 132.22 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 1.7 m-85 -114.9 109.15 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -95.38 97.9 10.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -120.51 159.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -116.59 131.53 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 28' ' ' PHE . 3.7 mt -106.63 145.83 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 62.6 mt-30 -102.53 129.63 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 28' ' ' PHE . 5.8 ttmt -62.0 90.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 12.1 t0 -57.95 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -57.75 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -109.81 -11.61 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' O ' ' C ' ' A' ' 27' ' ' GLY . 25.9 mmt180 -114.07 51.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -16.49 -94.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.657 ' HB3' HD13 ' A' ' 20' ' ' LEU . 8.0 m-85 -96.06 8.42 43.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.32 48.25 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.627 ' HB ' HD12 ' A' ' 50' ' ' ILE . 3.2 pt -140.79 141.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -126.66 130.52 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' A' ' 48' ' ' ILE . 8.7 m -98.43 148.46 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -138.13 147.32 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.8 -162.49 13.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.55 145.16 4.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -62.2 -10.49 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -122.96 -25.49 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -131.16 60.39 52.59 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.28 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.3 t-80 -48.45 -43.44 34.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -33.25 101.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.1 pt-20 -34.5 -42.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -59.9 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 121.02 12.1 6.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.2 tp10 -72.06 117.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.1 p -85.62 49.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.8 p -119.95 125.66 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' HB ' ' A' ' 32' ' ' VAL . 26.7 mm -62.7 102.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -112.24 144.76 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.627 HD12 ' HB ' ' A' ' 30' ' ' ILE . 20.9 mm -74.41 104.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -95.75 19.74 10.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 29.3 t70 -164.37 120.04 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.8 t -135.02 93.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 9.3 tp -40.26 111.62 0.77 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.2 Cg_endo -69.8 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.3 17.85 6.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -157.76 10.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -44.29 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -56.54 -43.22 79.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -43.39 92.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.78 -50.69 0.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 18' ' ' VAL . 37.9 mt -68.27 -36.97 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 20' ' ' LEU . 80.1 mt -136.41 162.82 31.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' CG ' HH12 ' A' ' 102' ' ' ARG . 87.7 mt-30 -131.95 177.35 7.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.2 tt0 -75.34 141.39 43.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 72.03 35.41 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 6.1 m-20 -86.39 84.72 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.0 mpt_? -37.84 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG12 ' HG3' ' A' ' 77' ' ' MET . 58.8 t -68.49 124.77 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.33 -54.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.2 ttm -134.11 153.49 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 77' ' ' MET . 96.5 t -143.68 105.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 62.64 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.92 24.09 23.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.463 HG22 ' CE ' ' A' ' 77' ' ' MET . 86.1 m -126.7 130.6 23.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.73 8.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.695 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.4 mmt -103.09 17.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -93.09 126.72 38.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 59.85 46.65 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.09 170.45 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -81.13 149.57 29.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.7 t-80 -55.05 -35.97 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -72.65 -25.87 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -75.42 -41.67 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.41 83.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.33 -36.84 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.4 tp-100 -42.75 -57.78 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -49.08 -39.21 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.26 -50.65 72.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.9 ptm85 -68.97 -26.24 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -71.9 -38.17 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -53.31 145.5 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.06 -73.88 0.97 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -127.85 -44.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 20.9 mm -111.12 125.64 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.82 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.89 113.54 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.43 HG22 HG13 ' A' ' 100' ' ' VAL . 66.6 mt -115.14 128.09 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.95 99.73 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.43 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -107.75 166.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -131.64 123.56 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -102.77 127.84 29.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.86 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.309 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 66.0 m95 -78.93 105.85 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -95.13 143.13 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 9.2 mt-30 -93.84 156.03 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 17.4 m-85 -141.93 110.12 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -93.88 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -124.32 147.48 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.74 131.82 53.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.879 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.1 mt -108.93 159.24 16.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mt-30 -115.8 132.0 56.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.0 89.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.0 t0 -55.0 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 m -50.31 -71.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -35.76 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' O ' ' C ' ' A' ' 27' ' ' GLY . 74.9 mmt-85 -85.55 39.28 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.662 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -2.05 -104.32 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 5.2 m-85 -84.87 1.82 45.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ARG . . . 44.24 55.49 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.825 ' HB ' HD12 ' A' ' 50' ' ' ILE . 1.1 pt -144.62 148.78 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -131.74 139.3 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -105.74 142.88 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 143.7 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.32 -158.42 21.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.31 170.18 22.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 37' ' ' ASP . 13.3 ptm180 -63.4 -39.86 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 7.9 m-20 -98.54 -13.42 20.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.68 58.89 39.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 79.68 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -48.08 -43.24 30.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -35.89 98.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.5 pt-20 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' PHE . 7.0 m120 -63.93 -58.06 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.11 31.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.58 116.18 25.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -84.93 46.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -126.08 116.43 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.603 HG13 ' HB2' ' A' ' 85' ' ' ALA . 50.6 mm -50.16 135.88 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -138.36 149.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.825 HD12 ' HB ' ' A' ' 30' ' ' ILE . 17.8 mm -82.5 98.93 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -88.93 19.99 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t70 -162.58 122.68 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.0 t -134.98 94.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.737 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.6 tp -38.76 112.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.39 14.73 6.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.737 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -112.33 -161.08 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -34.8 13.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.01 -37.3 87.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -48.75 89.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.02 -51.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.879 ' CD1' HD23 ' A' ' 20' ' ' LEU . 51.8 mt -63.97 -49.57 72.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 20' ' ' LEU . 67.8 mt -119.56 171.57 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -138.03 167.2 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.45 134.8 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 72.62 37.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.449 ' OD2' HG11 ' A' ' 100' ' ' VAL . 43.4 p-10 -83.79 84.85 7.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 3.8 mpt_? -36.24 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 90.7 t -70.91 141.29 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.94 -54.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttm -136.47 151.55 49.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.7 t -141.87 107.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 58.85 25.78 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.97 24.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.504 HG22 ' CE ' ' A' ' 77' ' ' MET . 89.6 m -125.18 126.79 25.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.95 10.6 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.526 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.7 mmt -105.17 14.78 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.15 118.67 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 66.81 44.35 2.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.88 164.6 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.89 141.01 39.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -47.5 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -56.8 -44.12 81.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.1 -35.71 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.603 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -68.5 -52.85 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.08 -38.89 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.0 tp60 -40.37 -58.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -49.47 -41.18 39.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 mt -59.53 -52.74 64.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 7.4 ptm180 -65.19 -30.62 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -71.12 -30.52 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 t -62.53 130.51 45.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.09 -83.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -124.33 -36.28 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 30.2 mm -113.09 134.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.33 151.1 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.24 107.64 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.512 HG23 HG22 ' A' ' 72' ' ' VAL . 59.4 mt -110.21 142.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 t -118.51 98.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG11 ' OD2' ' A' ' 67' ' ' ASP . 20.1 m -100.09 -177.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -147.18 130.92 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 137.66 20.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.634 2.222 . . . . 0.0 112.389 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -78.82 109.06 12.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.8 135.02 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -94.55 137.98 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -124.51 111.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -98.06 103.95 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -127.38 155.47 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.58 133.4 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.769 HD23 HD12 ' A' ' 62' ' ' LEU . 3.3 mt -110.02 149.94 29.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HA ' HD13 ' A' ' 95' ' ' ILE . 71.7 mt-30 -103.7 124.03 48.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.02 91.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.2 t70 -61.51 174.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -45.62 -64.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -111.73 -40.13 4.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' GLY . 9.2 mpt_? -85.95 49.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.602 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -15.94 -73.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' HB3' HD13 ' A' ' 20' ' ' LEU . 13.8 m-85 -113.06 10.71 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.59 57.05 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.61 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -145.68 143.67 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -125.94 124.57 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 m -96.03 152.1 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -147.29 141.15 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.61 -152.88 17.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 152.73 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -64.8 -20.36 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.4 -21.28 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -133.4 57.62 27.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.711 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 89.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.0 t-80 -59.8 -40.79 89.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.9 t80 -31.15 104.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.6 tt0 -29.6 -53.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -53.74 -60.74 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.61 29.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.84 131.16 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.9 p -100.41 49.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.421 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.0 m -130.5 168.77 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.727 HG13 ' HB2' ' A' ' 85' ' ' ALA . 30.3 mm -99.77 110.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.33 150.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.61 HD12 ' HB ' ' A' ' 30' ' ' ILE . 15.1 mm -84.01 103.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -94.15 18.08 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.7 t0 -163.76 123.77 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' LEU . 65.9 t -135.02 93.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.948 HD23 ' HA3' ' A' ' 57' ' ' GLY . 6.8 tp -32.13 115.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.7 Cg_endo -69.69 -10.52 28.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.65 35.17 2.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.948 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -128.86 -158.47 9.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.82 11.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -67.7 -37.45 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -49.21 90.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.48 -51.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.769 HD12 HD23 ' A' ' 20' ' ' LEU . 94.4 mt -66.8 -44.62 80.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.56 HD12 HD11 ' A' ' 20' ' ' LEU . 66.7 mt -125.92 165.77 18.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 15.4 mt-30 -137.94 163.35 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.88 141.32 58.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m120 74.93 27.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.518 ' HB3' HG21 ' A' ' 100' ' ' VAL . 7.4 m-20 -80.13 76.93 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -35.94 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 77' ' ' MET . 48.4 t -67.81 129.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -111.0 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 ttm -134.19 153.12 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.4 t -138.78 104.96 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 55.01 35.03 23.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 22.76 40.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 88' ' ' GLN . 22.4 m -122.56 124.24 26.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 125.2 11.9 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 69' ' ' VAL . 6.8 mmt -108.52 15.19 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.12 122.9 35.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 64.75 43.96 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.03 174.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.6 142.75 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -47.97 -40.28 21.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.8 p -67.19 -32.69 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -67.73 -39.59 84.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.727 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.33 -46.29 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.95 -41.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -40.38 -58.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.1 mm-40 -49.84 -41.19 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.06 -53.04 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -66.66 -22.65 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.81 -34.44 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -56.23 124.35 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.59 -80.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -130.71 -49.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 21' ' ' GLN . 30.3 mm -103.34 133.64 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -130.93 152.51 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.16 104.94 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -102.87 137.25 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 t -112.29 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.518 HG21 ' HB3' ' A' ' 67' ' ' ASP . 3.8 m -106.25 154.41 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -122.97 124.44 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -106.56 134.87 19.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.4 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.402 ' CZ2' ' HB3' ' A' ' 103' ' ' PRO . 71.0 m95 -82.09 105.13 12.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.59 139.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -93.8 135.14 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 102' ' ' ARG . 5.5 m-85 -120.92 110.61 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -103.55 99.27 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -117.35 156.3 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.82 128.74 55.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.642 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.6 mt -106.99 151.06 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' GLY . 70.4 mt-30 -105.51 125.83 51.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -59.05 92.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 18.5 t70 -63.47 169.18 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -39.33 -66.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -111.57 -42.21 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HG2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -82.41 47.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -14.67 -71.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' A' ' 20' ' ' LEU . 14.2 m-85 -114.74 5.35 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.8 49.21 3.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.625 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -139.85 156.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.62 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 m -104.53 150.92 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -143.04 141.11 31.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.5 -151.3 17.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.15 141.16 3.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB3' ' C ' ' A' ' 79' ' ' ASP . 6.0 ptm180 -55.63 -13.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.7 -20.52 7.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -132.75 58.56 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.377 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.1 t-80 -42.21 -45.67 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -33.12 100.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.8 pp20? -34.03 -53.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 16.4 t30 -56.68 -57.64 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.42 76.82 0.25 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -131.67 80.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.1 p -42.11 -38.1 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -40.7 112.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 85' ' ' ALA . 45.9 mm -52.91 126.59 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -126.09 152.23 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.6 mm -85.57 103.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -94.47 19.01 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.8 t0 -162.36 122.21 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.4 t -135.0 93.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.652 HD22 ' HG2' ' A' ' 26' ' ' ARG . 6.8 tp -37.07 114.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.61 21.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.86 30.73 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.608 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -125.95 -161.62 11.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.72 -33.38 16.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.276 . . . . 0.0 112.361 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.58 -36.33 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.77 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.69 -46.36 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.937 ' O ' HG21 ' A' ' 18' ' ' VAL . 34.8 mt -71.33 -35.11 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.506 ' CD1' HD11 ' A' ' 20' ' ' LEU . 74.4 mt -133.04 165.82 23.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -135.82 167.82 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.0 144.98 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 65.41 34.91 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' ARG . 52.0 p-10 -83.27 82.44 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.1 mpt_? -34.21 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ASP . 60.0 t -70.66 127.29 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 t -108.11 -57.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 ttm -132.89 153.8 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 86.3 t -139.82 104.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 58.96 30.59 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.65 22.86 32.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.411 HG22 ' CE ' ' A' ' 77' ' ' MET . 30.4 m -125.76 127.51 24.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 124.8 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.6 mmt -106.72 16.15 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.67 121.94 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.41 ' C ' ' HB3' ' A' ' 36' ' ' ARG . 7.9 t0 66.22 45.21 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.401 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.5 m -123.48 166.95 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.34 147.6 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.864 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.4 t-80 -50.82 -36.15 35.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -70.13 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.401 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.0 t80 -71.89 -41.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -65.29 -50.02 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.1 p -62.86 -38.29 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.456 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -42.79 -57.2 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -50.18 -40.44 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.73 -48.84 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.9 ptp180 -71.21 -20.95 62.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -80.16 -42.74 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -45.86 126.13 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.17 -75.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -130.93 -46.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 38.7 mm -105.95 138.35 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.0 154.27 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.74 104.44 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 72' ' ' VAL . 63.6 mt -102.61 135.42 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.7 t -110.18 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -105.16 168.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -135.81 120.91 18.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 10.5 mtt180 -105.32 131.48 21.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -78.62 106.74 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.94 142.11 27.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -94.03 138.13 32.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -124.28 108.27 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 m -95.24 98.58 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -118.27 148.08 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.631 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -105.75 132.85 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.6 mt -107.57 149.48 27.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 49.8 mt-30 -112.83 124.4 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -56.48 96.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 8.7 t0 -51.31 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.4 m -42.27 -76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -111.98 -57.93 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -44.08 -38.74 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.493 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 79.77 -141.61 23.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -50.06 -18.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.59 52.56 44.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 59' ' ' ALA . 14.1 pt -142.68 158.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -144.74 133.11 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 48' ' ' ILE . 14.4 m -103.03 150.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -140.17 144.58 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -179.62 20.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.47 157.95 16.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -68.28 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.21 -27.64 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.83 58.82 41.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.84 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.5 t-80 -53.53 -37.02 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -32.6 106.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -32.49 -53.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -59.27 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 125.44 21.53 2.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.422 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.08 111.37 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.6 p -82.38 46.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.5 m -128.56 124.58 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.466 HG23 ' HB ' ' A' ' 32' ' ' VAL . 34.7 mm -56.54 126.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -131.37 154.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -86.38 98.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -89.33 13.81 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.3 t70 -156.42 125.48 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.502 HG13 ' HB1' ' A' ' 59' ' ' ALA . 53.3 t -135.05 93.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.956 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.2 tp -33.51 112.09 0.39 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.42 13.3 5.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.956 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -111.11 -159.28 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -37.74 8.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -57.29 -46.12 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -48.13 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 127.09 -52.2 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 20' ' ' LEU . 68.3 mt -67.84 -46.76 70.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 20' ' ' LEU . 79.3 mt -124.99 167.28 14.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -130.37 179.68 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.18 144.87 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.75 40.07 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.972 ' OD2' HG21 ' A' ' 100' ' ' VAL . 11.0 t0 -89.54 90.35 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.5 mpt_? -37.35 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 t -78.02 131.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.34 -58.51 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 9.3 ttp -130.01 147.4 51.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 69.4 t -135.29 104.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 64.19 27.93 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.1 26.15 24.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 m -130.11 126.84 22.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 72' ' ' VAL . 8.6 mmt -95.41 13.57 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.88 125.51 34.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 t70 65.35 42.04 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -122.78 170.56 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.01 153.05 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.787 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.2 t-80 -54.62 -39.04 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -67.57 -29.15 68.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -74.12 -41.86 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.84 -46.67 80.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.39 -36.1 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -43.45 -57.14 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -48.35 -42.25 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.32 -54.19 49.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.7 ptm85 -65.37 -26.04 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -74.6 -40.95 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -53.68 153.51 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.35 -90.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -112.07 -37.41 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 21' ' ' GLN . 46.0 mm -115.11 133.48 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.58 138.8 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.55 132.12 47.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.5 136.87 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.9 t -113.45 98.85 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.972 HG21 ' OD2' ' A' ' 67' ' ' ASP . 33.9 m -100.88 169.66 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -138.01 118.07 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -105.96 135.99 19.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.785 0.326 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 53.3 m95 -78.83 113.13 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -99.3 143.18 29.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -93.97 148.36 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -132.57 119.64 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -104.86 100.03 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.4 m -118.93 142.62 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.83 131.06 53.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.4 mt -107.06 142.84 36.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 41.3 mt-30 -99.08 131.65 44.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -64.85 89.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.49 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 9.3 t70 -55.44 166.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.0 p -44.56 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -110.03 -21.59 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.8 mmt180 -106.49 58.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -24.41 -90.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 30' ' ' ILE . 9.6 m-85 -101.6 6.04 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 32.89 50.7 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 7.6 pt -141.62 165.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.27 142.46 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' HB ' HG23 ' A' ' 48' ' ' ILE . 9.1 m -110.07 149.2 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 m -144.59 133.71 22.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.92 176.63 15.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.23 170.92 35.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -72.34 -12.69 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.85 -27.64 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -133.61 66.26 73.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.58 ' HB3' HG22 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 80.95 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -37.18 -54.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.847 ' CE2' HG21 ' A' ' 49' ' ' VAL . 1.6 m-85 -32.75 117.26 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -55.81 -28.24 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -70.35 -26.71 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.71 20.9 8.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 14.1 tt0 -77.1 125.75 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 39' ' ' PRO . 33.8 p -101.96 50.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -119.54 132.96 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.831 HG12 ' HB2' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -65.38 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.85 152.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.439 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.0 mm -84.53 106.88 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.438 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.5 t -96.86 17.53 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.7 m-20 -162.14 121.89 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 59' ' ' ALA . 45.4 t -134.45 94.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.986 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.76 106.75 0.28 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.8 Cg_endo -69.73 0.16 6.02 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.55 9.62 3.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.986 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -110.58 -156.89 15.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.86 19.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.61 -45.33 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -46.18 89.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.49 -52.91 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.863 ' CD1' HD23 ' A' ' 20' ' ' LEU . 84.3 mt -63.89 -51.1 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 20' ' ' LEU . 18.5 mt -119.92 174.99 6.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -141.87 169.14 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.16 145.59 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 66.02 37.88 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.504 ' OD2' HG11 ' A' ' 100' ' ' VAL . 31.5 p-10 -91.91 91.07 7.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -45.18 100.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 48' ' ' ILE . 12.7 t -76.17 126.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.61 -47.47 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ttm -137.75 148.54 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 98' ' ' ILE . 68.1 t -141.98 109.92 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 59.76 27.6 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 26.9 24.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -132.98 130.05 21.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.549 0.69 . . . . 0.0 111.159 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 127.98 15.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.404 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.3 mmt -106.29 22.38 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -96.26 124.57 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.9 41.07 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.2 m -114.94 171.32 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.8 147.01 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.423 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.7 t-80 -49.62 -41.68 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -69.28 -29.0 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.424 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.4 t80 -69.82 -44.66 69.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 48' ' ' ILE . . . -62.73 -47.94 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 82' ' ' HIS . 4.6 p -64.7 -42.92 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' VAL . 2.5 tp60 -38.72 -58.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -46.63 -40.38 12.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.24 -54.57 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -65.98 -15.84 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -85.13 -31.0 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -63.62 133.68 54.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.84 -87.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -114.6 -48.01 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 21.0 mm -101.88 128.85 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.08 143.51 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.0 121.42 44.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 72' ' ' VAL . 40.6 mt -127.49 126.76 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.76 98.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.535 HG21 ' NH2' ' A' ' 102' ' ' ARG . 29.5 m -99.06 174.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -139.35 133.39 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.535 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.8 mtt-85 -122.72 138.68 29.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 103' ' ' PRO . 63.0 m95 -78.94 106.17 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.99 134.83 35.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -93.37 140.06 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.23 112.19 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -101.42 101.74 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.36 153.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.13 128.74 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.867 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.7 mt -109.61 154.04 23.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 66.7 mt-30 -107.67 137.6 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.595 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -72.09 92.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 15.6 t0 -56.21 -175.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -66.29 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -14.01 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' ' C ' ' A' ' 27' ' ' GLY . 27.4 mmt180 -121.85 64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . -26.89 -93.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 18.1 m-85 -95.28 10.92 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.8 59.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.641 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -147.57 158.81 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.749 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -143.42 128.45 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 82' ' ' HIS . 18.3 m -96.95 144.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -134.14 141.14 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.75 -158.91 14.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.15 144.44 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -45.11 -34.98 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.94 -14.29 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -133.25 60.69 50.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 79.91 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.8 t-80 -45.86 -41.59 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -31.41 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.5 tt0 -31.98 -45.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.01 -66.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.84 71.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -123.76 114.35 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -81.6 54.0 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 m -132.67 121.94 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG13 ' HB2' ' A' ' 85' ' ' ALA . 43.5 mm -58.53 120.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.43 150.04 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.641 HD12 ' HB ' ' A' ' 30' ' ' ILE . 21.0 mm -82.98 105.33 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.454 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 1.3 t -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.3 m-20 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.5 t -130.84 94.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.029 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.0 tp -32.31 109.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.74 21.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.03 31.42 2.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 1.029 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -129.96 -158.99 9.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -31.73 19.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -66.88 -43.89 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -48.75 92.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.56 -51.6 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.867 ' CD1' HD23 ' A' ' 20' ' ' LEU . 62.7 mt -69.02 -49.82 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 20' ' ' LEU . 28.9 mt -119.05 170.65 8.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -141.66 169.61 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 138.6 54.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.4 m120 73.88 31.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ARG . 49.7 p-10 -83.67 78.81 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -34.89 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.8 t -75.78 130.93 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -109.72 -51.58 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.37 152.83 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -142.27 104.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 60.61 29.1 18.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.81 23.5 30.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.407 HG21 ' NE2' ' A' ' 88' ' ' GLN . 28.0 m -127.08 126.94 24.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.04 11.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -106.48 14.8 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.11 123.98 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 63.32 46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.41 168.18 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.71 144.71 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.538 ' CD2' HG23 ' A' ' 32' ' ' VAL . 1.8 t-80 -44.88 -48.26 11.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.0 p -55.96 -42.8 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.43 -38.06 85.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -66.63 -56.07 12.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.2 p -60.71 -35.42 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.7 -58.26 2.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.407 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.6 mm-40 -50.55 -40.94 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.84 -53.55 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 6.9 ptm180 -63.12 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -70.07 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -51.86 130.98 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.54 -80.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -122.89 -37.72 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 40.2 mm -113.94 141.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -136.98 134.68 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.68 122.16 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.7 mt -118.71 141.5 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.75 98.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -98.99 -176.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -153.18 122.7 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -113.09 123.82 32.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 80.0 m95 -78.06 101.95 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -96.01 144.66 26.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.29 148.72 21.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -134.71 107.92 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -88.14 98.97 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.27 146.67 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -103.09 129.57 49.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 62' ' ' LEU . 4.0 mt -108.11 143.83 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG2' HD12 ' A' ' 95' ' ' ILE . 78.7 mt-30 -109.26 125.19 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -55.71 101.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.53 -177.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 m -41.48 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -111.98 -57.08 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -41.01 -46.37 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.21 -129.69 9.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.57 -4.77 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.42 55.22 6.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 20.1 pt -149.11 162.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.8 146.68 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.664 ' HB ' HG23 ' A' ' 48' ' ' ILE . 18.7 m -115.42 152.12 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.58 145.16 28.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.556 ' O ' HD13 ' A' ' 48' ' ' ILE . . . 83.59 106.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' CD1' ' A' ' 48' ' ' ILE . . . -111.34 -156.77 14.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -89.43 -8.61 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.5 m-20 -121.75 -28.19 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -127.55 57.21 23.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.86 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 1.3 t-80 -49.57 -35.33 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' GLU . 2.0 t80 -33.93 109.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.3 pp20? -33.1 -54.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.67 -74.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.92 32.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' OE1' ' NE ' ' A' ' 68' ' ' ARG . 8.8 tt0 -77.47 113.2 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -91.61 47.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.523 ' CB ' ' HD2' ' A' ' 68' ' ' ARG . 18.1 m -123.17 99.21 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.664 HG23 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mm -34.02 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.64 145.64 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.3 mm -81.49 106.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -100.18 17.85 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.837 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 5.5 m-20 -157.08 115.85 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.8 t -131.3 93.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.766 HD23 ' CA ' ' A' ' 57' ' ' GLY . 4.0 tp -33.5 122.09 0.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.8 24.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.98 23.08 2.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.766 ' CA ' HD23 ' A' ' 54' ' ' LEU . . . -107.56 -164.47 21.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.02 21.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.317 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -88.16 6.46 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 2.2 p-10 -80.04 42.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.87 -28.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 20' ' ' LEU . 69.4 mt -80.73 -46.09 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.55 171.74 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.421 ' CD ' ' HD3' ' A' ' 102' ' ' ARG . 7.3 pt20 -134.76 169.15 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.37 149.01 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 62.63 31.19 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.822 ' OD2' HG21 ' A' ' 100' ' ' VAL . 7.6 t0 -91.0 116.58 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 mmt85 -65.95 109.85 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.4 t -77.44 127.59 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.91 -55.09 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttm -132.26 154.49 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' MET . 77.0 t -145.38 105.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 61.42 25.39 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 26.62 16.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.602 HG21 ' NE2' ' A' ' 88' ' ' GLN . 91.5 m -129.11 128.81 23.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.602 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.3 mmt -100.33 11.37 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -87.88 121.77 30.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 t0 67.01 44.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.59 171.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 37' ' ' ASP . 44.5 mt -83.57 139.75 32.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -45.4 -32.82 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 m -73.98 -37.07 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.58 -40.65 89.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -60.07 -50.71 72.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' GLN . 2.6 p -62.36 -42.04 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER -35.91 -63.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.602 ' NE2' HG21 ' A' ' 75' ' ' THR . 93.0 mm-40 -37.47 -39.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.69 -56.03 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 2.5 ptm180 -60.92 -40.4 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -58.9 -61.81 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 1.9 t -37.89 138.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.09 -74.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -132.91 -35.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' HG2' ' A' ' 21' ' ' GLN . 35.7 mm -111.85 134.14 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.44 145.59 51.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.91 92.64 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.2 mt -93.64 134.74 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.35 98.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.822 HG21 ' OD2' ' A' ' 67' ' ' ASP . 27.8 m -100.73 176.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 68' ' ' ARG . 35.7 pttt -139.46 120.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.421 ' HD3' ' CD ' ' A' ' 64' ' ' GLN . 18.0 mtt180 -110.83 134.84 20.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.2 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.826 0.345 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -79.15 104.88 10.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.8 149.88 21.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 7.7 mt-30 -93.84 158.75 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 16.2 m-85 -140.47 107.61 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -96.83 99.94 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.43 160.93 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.9 133.19 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.83 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.3 mt -111.26 143.04 42.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 68.7 mt-30 -101.37 134.34 44.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -65.58 91.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.73 -179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -39.01 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLY . 38.7 mmtt -111.87 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' LYS . 41.1 mmt-85 -34.24 -35.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 78.95 -117.65 4.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 30' ' ' ILE . 35.2 m-85 -81.73 10.06 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.94 45.78 1.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.1 pt -144.49 150.24 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.04 135.61 36.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.575 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.8 m -96.44 157.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 p -143.8 165.62 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.21 -153.72 36.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.85 165.57 13.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.96 -26.51 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -106.93 -19.68 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -132.71 57.73 30.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 79.54 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -89.17 74.41 8.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -134.88 25.74 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 39.87 24.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' PHE . 9.3 t30 -134.95 -45.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.3 28.94 3.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 127.75 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 p -97.64 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 162.25 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.776 HG13 ' HB2' ' A' ' 85' ' ' ALA . 33.0 mm -99.52 118.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.461 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 1.5 m -117.93 168.29 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.9 mm -92.75 106.69 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -97.58 15.49 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.2 t70 -160.96 122.55 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' LEU . 87.3 t -132.27 93.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.004 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.7 tp -35.26 109.85 0.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.6 26.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.13 31.27 2.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 1.004 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -130.46 -155.09 8.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.6 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.85 -52.4 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -38.5 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.26 -49.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.83 ' CD1' HD23 ' A' ' 20' ' ' LEU . 15.3 mt -69.65 -52.39 26.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 20' ' ' LEU . 25.6 mt -116.74 169.82 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.429 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 5.2 pt20 -140.04 161.34 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 2.4 tt0 -66.22 138.67 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.444 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 2.1 m120 74.98 38.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 100' ' ' VAL . 26.3 m-20 -98.1 93.16 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -41.8 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.654 HG12 ' HG3' ' A' ' 77' ' ' MET . 43.0 t -68.46 106.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -82.67 -62.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.507 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 14.9 ttp -127.37 150.08 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.6 t -136.79 105.21 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 61.21 29.48 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.75 29.41 18.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.436 HG21 ' NE2' ' A' ' 88' ' ' GLN . 41.9 m -131.66 127.3 21.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.654 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.9 mmt -99.91 15.42 27.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.65 120.16 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.1 43.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 16.6 m -119.24 175.0 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' PHE . 93.4 mt -91.15 144.52 25.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -42.91 -45.58 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.5 p -64.6 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.521 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 86.9 t80 -64.43 -40.17 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.776 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.52 -50.75 66.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.96 -36.67 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.99 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.436 ' NE2' HG21 ' A' ' 75' ' ' THR . 79.2 mm-40 -52.17 -38.99 59.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.19 -55.18 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.2 ptm85 -60.88 -33.78 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.86 -50.75 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -46.06 134.83 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.17 -85.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -122.94 -37.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 39.9 mm -107.35 137.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.26 147.34 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.13 136.15 50.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.457 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -130.11 136.98 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.35 99.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 69' ' ' VAL . 31.2 m -109.39 160.86 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -125.27 119.37 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -106.21 139.71 20.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.855 0.359 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 59.3 m95 -78.71 104.44 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.03 141.7 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.86 136.52 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.88 108.8 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 m -96.54 98.0 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -118.75 156.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.77 124.93 51.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 62' ' ' LEU . 7.0 mt -99.49 147.85 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 95' ' ' ILE . 62.4 mt-30 -112.43 128.14 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -58.59 115.71 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' SER . 5.2 t70 -84.24 -178.55 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 62.2 m -38.59 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -112.21 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 54' ' ' LEU . 32.7 mmt180 -44.76 -42.72 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 -90.23 1.36 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -108.08 4.83 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.29 51.19 2.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 50' ' ' ILE . 6.5 pt -143.39 148.22 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.842 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -136.51 125.72 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 29.5 m -99.5 154.74 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -144.53 141.32 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.68 -146.41 17.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.51 131.56 3.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -48.11 -19.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -110.13 -22.9 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 18.5 t30 -131.03 60.43 53.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 80.48 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.7 t-80 -48.93 -37.67 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -35.2 99.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.5 pt-20 -31.41 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 25.2 t-20 -62.41 -60.03 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.05 30.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.74 126.01 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -86.07 48.23 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.3 m -115.67 143.06 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.48 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 14.1 mm -84.9 111.78 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -117.37 157.2 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.2 mm -86.56 105.79 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.1 t -95.65 16.98 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.842 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m-20 -163.43 120.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -128.58 93.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -34.22 116.61 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.31 20.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -108.97 -165.28 20.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.668 ' O ' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.79 -24.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 53' ' ' VAL . . . -95.34 8.92 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.7 p-10 -82.45 42.91 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.15 -32.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 58' ' ' PRO . 13.6 mt -77.97 -36.84 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.62 161.62 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 10.1 pt20 -131.86 166.15 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.0 tt0 -58.75 144.84 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 70.94 30.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.597 ' HB3' HG11 ' A' ' 100' ' ' VAL . 9.8 m-20 -79.12 70.49 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.51 ' NH2' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -32.19 94.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HG3' ' A' ' 77' ' ' MET . 38.5 t -67.65 121.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -101.88 -54.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 ttm -133.08 148.38 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 ' HG3' ' A' ' 77' ' ' MET . 74.3 t -138.36 104.92 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 60.45 28.9 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.55 24.78 27.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.433 HG21 ' NE2' ' A' ' 88' ' ' GLN . 25.6 m -127.15 126.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.7 mmt -98.82 13.39 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -92.96 122.49 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t0 67.34 42.18 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -121.12 166.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.2 146.52 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.3 t60 -49.87 -45.29 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -71.14 -37.44 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -67.11 -49.38 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.3 p -66.04 -36.09 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.0 tp60 -43.58 -57.71 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' NE2' HG21 ' A' ' 75' ' ' THR . 76.1 mm-40 -50.73 -37.34 41.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 mt -68.15 -49.49 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.9 ptp180 -69.99 -19.31 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -81.21 -45.53 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -47.66 138.43 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.29 -73.02 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -133.78 -44.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 21' ' ' GLN . 27.0 mm -108.22 129.64 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.24 151.26 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.74 110.58 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.14 139.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.66 98.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 67' ' ' ASP . 6.0 m -106.87 165.22 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -107.25 135.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 77.5 m95 -78.57 101.96 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 10.5 mt-10 -95.24 142.02 28.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.67 134.23 35.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.16 123.07 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.6 m -105.61 97.7 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.5 m -123.84 152.49 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.64 132.73 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.853 HD23 HD12 ' A' ' 62' ' ' LEU . 4.7 mt -107.25 147.31 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 55.5 mt-30 -105.49 131.77 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -66.01 86.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.486 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 2.8 t70 -55.5 164.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.6 p -35.63 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -29.93 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.641 ' O ' ' C ' ' A' ' 27' ' ' GLY . 33.3 mmt180 -90.36 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -12.92 -95.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.02 4.01 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 36.37 58.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.2 pt -147.45 153.62 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -134.74 121.55 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 HD13 ' A' ' 50' ' ' ILE . 34.6 m -98.28 155.35 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -146.48 148.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -151.28 19.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.24 125.92 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 11.6 ptm180 -55.2 -17.1 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 -27.89 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -132.6 64.78 72.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.0 t-80 -50.13 -43.39 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.2 t80 -30.87 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.4 tt0 -31.21 -57.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.04 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.69 73.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' THR . 22.5 tt0 -134.99 83.31 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 36' ' ' ARG . 72.3 p -32.93 -41.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -38.99 130.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.27 140.84 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.15 140.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 30' ' ' ILE . 25.2 mm -78.34 97.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -87.67 20.23 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 31.4 t0 -164.19 122.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG13 ' HB1' ' A' ' 59' ' ' ALA . 72.0 t -134.43 93.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.549 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.6 tp -38.37 114.77 0.81 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.19 34.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.22 16.95 8.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -114.47 -163.02 14.38 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.04 24.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -71.2 -31.9 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.48 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.64 -53.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 20' ' ' LEU . 94.5 mt -63.43 -44.48 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.524 HD22 ' OD2' ' A' ' 67' ' ' ASP . 87.4 mt -130.27 169.84 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 3.1 pt20 -135.95 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 3.5 tt0 -66.34 146.82 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.66 40.81 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.547 ' OD2' HG21 ' A' ' 100' ' ' VAL . 2.4 m-20 -80.53 91.27 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG12 ' HG3' ' A' ' 77' ' ' MET . 36.2 t -62.38 122.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.07 -50.47 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttm -136.5 150.68 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.521 HG22 HG23 ' A' ' 98' ' ' ILE . 47.8 t -137.54 108.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 53.05 32.48 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.74 25.57 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 m -127.23 128.75 24.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.76 10.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.642 ' HG3' HG12 ' A' ' 69' ' ' VAL . 9.8 mmt -104.84 11.38 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.88 122.91 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.1 44.81 4.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.4 m -122.0 162.42 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.11 148.11 46.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.87 -27.41 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 t -77.38 -35.93 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.25 -44.54 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.33 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 89' ' ' LEU . 5.4 p -68.28 -43.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 86' ' ' VAL . 12.6 tt0 -40.06 -51.09 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.2 -33.12 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' VAL . 43.6 mt -70.6 -47.84 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.5 ptm85 -67.86 -15.32 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -85.01 -38.2 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -53.39 123.38 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.18 -76.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -131.49 -36.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.6 mm -111.6 132.17 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.24 140.71 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.1 110.2 21.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.521 HG23 HG22 ' A' ' 72' ' ' VAL . 54.9 mt -113.88 134.17 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.46 99.9 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.547 HG21 ' OD2' ' A' ' 67' ' ' ASP . 18.8 m -107.68 165.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 24.6 pttt -132.04 123.16 26.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.435 HH11 ' CG ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -103.32 127.3 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.827 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -78.93 102.87 8.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.98 139.71 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.58 130.1 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-85 -117.67 109.92 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.2 m -101.14 98.54 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.621 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.7 m -114.7 148.55 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.31 129.99 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 62' ' ' LEU . 6.8 mt -110.66 147.52 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.11 151.09 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -81.49 93.45 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -56.67 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -44.32 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' ARG . 38.6 mmtt -112.25 -57.68 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' LYS . 29.9 mmt-85 -32.69 -39.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 83.98 -100.76 2.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' ILE . 42.1 m-85 -106.46 10.6 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.06 50.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.5 pt -147.6 142.94 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.763 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . . . -134.24 133.38 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 18.9 m -97.4 154.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.2 p -132.57 172.53 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.45 -165.25 54.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.57 143.97 3.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -51.78 -34.45 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.06 -27.6 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -134.96 69.47 70.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.0 t-80 -43.07 -48.67 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -31.11 100.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 43' ' ' ASN . 8.1 pt-20 -35.09 -41.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 24.0 t30 -60.76 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.69 109.61 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.0 p -76.09 47.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.4 m -118.22 129.21 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.479 HG13 ' HB2' ' A' ' 85' ' ' ALA . 39.6 mm -70.28 113.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.25 157.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.1 105.34 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 t -99.49 24.27 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.763 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 18.2 t0 -164.4 121.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.3 t -134.91 93.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.96 106.83 0.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.75 4.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -145.68 19.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.76 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.64 -156.57 10.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -37.07 9.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -61.1 -50.67 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.17 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 120.76 -49.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.855 ' CD1' HD23 ' A' ' 20' ' ' LEU . 78.0 mt -69.55 -49.42 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.793 HD12 HD11 ' A' ' 20' ' ' LEU . 32.8 mt -118.08 169.57 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -139.68 158.53 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.77 150.53 41.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.77 35.57 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.5 m-20 -91.62 84.97 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -37.4 100.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.705 HG12 ' HG3' ' A' ' 77' ' ' MET . 39.4 t -73.5 112.85 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -90.95 -55.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' HA2' ' A' ' 74' ' ' GLY . 11.1 ttm -133.79 147.76 51.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.589 HG23 ' HG3' ' A' ' 77' ' ' MET . 65.6 t -135.26 101.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 8.6 m-20 60.11 37.41 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' SD ' ' A' ' 71' ' ' MET . . . 84.44 21.12 57.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.543 HG21 ' CD ' ' A' ' 88' ' ' GLN . 91.1 m -123.18 126.24 25.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.625 2.217 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.705 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.2 mmt -106.8 19.47 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 5.1 pt-20 -97.39 113.23 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 72.65 44.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -118.3 169.34 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.06 150.46 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -50.54 -40.25 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 t -68.09 -33.27 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.17 -49.0 76.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -53.43 -50.22 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -69.52 -41.97 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' A' ' 91' ' ' LYS . 4.7 tt0 -39.53 -45.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.543 ' CD ' HG21 ' A' ' 75' ' ' THR . 85.7 mm-40 -64.28 -38.28 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' VAL . 77.5 mt -65.88 -53.43 39.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -62.97 -20.93 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 16.9 mtpt -77.36 -28.88 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -63.57 153.87 34.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.55 -66.22 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -132.03 -41.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.8 145.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.72 140.57 31.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASN . . . -108.8 123.41 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.42 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -122.86 133.06 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.24 98.99 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 69' ' ' VAL . 25.5 m -105.68 168.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -133.45 123.32 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -107.15 133.87 20.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -139.59 124.67 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -53.74 -59.02 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.82 -170.76 38.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -46.84 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -129.91 155.69 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.5 84.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.428 ' C ' ' HG2' ' A' ' 9' ' ' GLU . 32.0 mtt -128.72 165.13 21.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.745 0.307 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 8' ' ' MET . 16.7 pt-20 39.4 49.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -73.97 -177.2 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 105' ' ' LYS . 12.2 p -142.11 132.26 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -89.98 104.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 75.2 m95 -81.81 109.12 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.34 139.76 34.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -94.1 153.12 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -138.39 111.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -98.36 99.92 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -117.32 149.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.465 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -106.61 129.91 54.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.795 HD23 HD12 ' A' ' 62' ' ' LEU . 3.7 mt -108.3 150.03 27.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 47.5 mt-30 -107.46 128.51 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -62.38 96.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.6 t70 -62.9 -174.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -42.09 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -112.41 -50.02 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -52.22 -20.17 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.462 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 55.1 -110.67 1.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -80.65 4.81 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.24 2.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.608 ' HB ' HD12 ' A' ' 50' ' ' ILE . 7.6 pt -149.86 158.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -140.79 142.64 34.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.31 143.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -136.96 141.88 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.99 -149.29 18.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.18 161.25 9.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -71.7 -9.02 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -122.97 -18.79 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.73 60.05 39.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 81.89 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.9 t-80 -45.26 -38.7 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.3 t80 -33.66 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.7 tt0 -33.68 -47.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -65.23 -55.98 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.71 81.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -131.79 106.92 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -76.28 48.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.3 m -129.62 117.32 20.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.555 HG13 ' HB2' ' A' ' 85' ' ' ALA . 25.0 mm -50.58 128.12 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.04 142.79 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.608 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.4 mm -76.2 105.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -92.17 14.12 17.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 5.0 t70 -162.79 130.08 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 54' ' ' LEU . 42.6 t -134.83 96.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.894 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -34.05 106.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.71 -7.71 21.74 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.17 19.1 4.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.894 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -119.49 -157.97 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.63 16.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -64.5 -44.68 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -44.46 91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 124.24 -51.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 HD23 ' A' ' 20' ' ' LEU . 82.2 mt -66.05 -50.26 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 20' ' ' LEU . 70.6 mt -121.43 169.96 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -139.76 170.32 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.68 140.65 49.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 0.8 OUTLIER 74.17 31.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.568 ' HB2' HG21 ' A' ' 100' ' ' VAL . 41.4 p-10 -86.34 82.96 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -37.7 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.9 t -68.94 129.77 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.24 -51.51 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ttm -135.39 154.75 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -146.42 105.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 61.09 25.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 29.96 10.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.7 m -134.43 126.43 18.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.99 6.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.3 mmt -97.36 15.9 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.48 124.33 33.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 60.83 42.05 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -117.21 162.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.89 141.85 44.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -45.57 -41.99 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -64.82 -36.32 83.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -64.36 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.555 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.75 -50.36 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.43 -40.98 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.8 tp60 -38.45 -58.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -49.74 -39.11 36.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.68 -50.6 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.1 ptm85 -67.5 -26.96 66.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -74.93 -39.07 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLY . 3.1 t -59.1 117.06 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.75 -81.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -132.85 -31.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 24.9 mm -111.55 127.08 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.22 152.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.16 115.32 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 50.6 mt -114.73 138.19 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.97 99.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 67' ' ' ASP . 5.2 m -105.86 159.88 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -123.95 138.9 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -121.48 138.66 28.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' LYS . 4.4 tmt_? -109.35 73.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.547 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.6 mtmt -35.69 140.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.32 100.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.41 175.18 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.5 m -146.36 130.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.12 142.5 36.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.21 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.7 118.23 31.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.8 p -120.79 174.33 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.18 -154.82 7.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 170.89 15.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.7 p -134.27 163.26 30.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.9 p -87.32 -177.68 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -132.61 143.02 49.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -85.52 127.97 34.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.11 62.06 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t -82.11 -67.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -65.11 111.11 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.08 -84.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -94.99 152.13 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -98.51 165.07 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 106' ' ' VAL . 3.3 mp0 -144.21 172.62 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.64 HG23 ' N ' ' A' ' 105' ' ' LYS . 11.7 p -145.8 141.91 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 24.1 mt -108.06 104.18 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 60.2 m95 -78.83 106.8 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -98.13 148.25 23.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -94.02 131.42 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.68 111.63 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -99.42 98.14 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -119.73 144.49 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.632 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -97.78 132.84 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.772 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.4 mt -111.92 155.03 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 72.8 mt-30 -111.15 136.32 50.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -69.41 87.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.71 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -40.2 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' GLY . 36.2 mmtt -111.72 -57.26 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -42.64 -24.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 25' ' ' LYS . . . 67.73 -123.93 20.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -72.34 1.42 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 45.84 58.11 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.54 HG23 ' HB2' ' A' ' 59' ' ' ALA . 2.2 pt -155.17 144.18 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.839 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -129.65 132.91 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 48' ' ' ILE . 25.0 m -106.17 139.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -125.77 156.55 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 -154.18 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.96 149.68 5.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 36' ' ' ARG . 3.3 ppt_? -63.72 -9.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -116.36 -28.05 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -134.38 65.7 68.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 83.13 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -34.0 -51.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.3 m-85 -32.68 109.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.1 -32.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -68.12 -49.12 63.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.44 52.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -99.87 115.36 29.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.9 p -85.11 42.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.1 m -121.04 132.51 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.611 HG13 ' HB2' ' A' ' 85' ' ' ALA . 40.2 mm -67.01 124.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.84 148.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.472 HD12 ' HB ' ' A' ' 30' ' ' ILE . 8.5 mm -85.54 105.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -97.5 14.41 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.839 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.8 m-20 -159.07 119.4 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -129.57 93.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.493 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -35.3 105.72 0.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.76 1.0 4.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' H ' ' CD2' ' A' ' 54' ' ' LEU . . . -135.14 13.3 4.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -116.51 -156.09 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.6 6.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -58.72 -44.33 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -45.68 90.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.4 -50.68 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.772 ' CD1' HD23 ' A' ' 20' ' ' LEU . 97.6 mt -65.45 -51.4 60.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 20' ' ' LEU . 25.8 mt -117.99 169.54 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.63 173.7 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.64 150.28 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 62.31 25.03 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG21 ' A' ' 100' ' ' VAL . 5.8 m-20 -82.91 80.59 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 110.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 100' ' ' VAL . 12.5 t -77.88 136.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.59 -40.36 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ttm -144.81 150.95 38.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.1 t -142.65 105.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.89 27.66 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.16 23.43 27.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -128.55 126.76 23.53 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.635 0.731 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 124.17 10.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.0 mmt -102.77 22.4 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -96.35 121.4 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.15 44.17 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -117.73 171.46 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.5 mt -80.16 144.47 32.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.12 -39.01 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.3 m -70.67 -31.56 68.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.77 -46.41 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.611 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -57.94 -49.85 75.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -64.88 -41.84 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 4.7 tp60 -38.33 -58.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -49.18 -36.23 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' VAL . 39.1 mt -64.51 -54.83 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.7 ptm85 -62.1 -29.54 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.38 -49.48 48.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -50.39 123.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.31 -84.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -128.06 -28.87 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 37.0 mm -113.92 131.16 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.07 48.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.1 100.0 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 72' ' ' VAL . 70.3 mt -101.47 135.88 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.67 99.32 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 69' ' ' VAL . 10.4 m -104.33 170.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -129.94 119.65 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -106.67 139.66 20.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.74 114.12 3.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' LYS . 11.3 ttt85 -93.51 55.19 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 11' ' ' VAL . 5.9 mtpm? -34.07 140.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 10' ' ' GLU . 10.8 p -88.13 148.43 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -144.75 153.0 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.0 m -41.63 125.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.69 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 124.94 11.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -102.51 76.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -141.89 142.42 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.04 91.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 154.72 67.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.2 p -83.46 58.94 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 m 48.04 45.15 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -93.51 152.84 18.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -119.42 151.24 38.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.59 175.91 22.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -67.65 103.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -173.07 145.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.55 109.31 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 ptp -64.07 172.38 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -111.93 103.33 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -142.56 -177.68 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 105' ' ' LYS . 14.5 p -156.21 144.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -104.2 104.29 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -79.57 106.12 11.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.77 136.88 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -93.88 155.04 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -142.31 108.99 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -91.19 101.77 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -124.05 144.3 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -109.55 133.51 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.857 HD23 ' CD1' ' A' ' 62' ' ' LEU . 1.3 mt -106.76 160.07 15.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 39.3 mt-30 -113.51 125.27 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -58.04 87.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.47 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -43.17 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -112.68 -50.37 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 -48.69 -19.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.68 -107.94 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' ILE . 20.2 m-85 -87.61 4.38 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.55 60.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 59' ' ' ALA . 3.4 pt -152.01 153.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -140.09 120.3 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 48' ' ' ILE . 26.6 m -93.96 158.61 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -136.11 176.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' C ' ' HA ' ' A' ' 39' ' ' PRO . . . 99.16 -144.78 17.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.94 138.73 4.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -63.63 -33.96 76.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -103.11 -26.52 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -133.35 64.24 68.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' C ' ' A' ' 34' ' ' GLY . 53.9 Cg_endo -69.69 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.328 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.2 t-80 -52.77 -40.26 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.1 t80 -33.66 105.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.7 pp20? -33.67 -49.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t-20 -58.21 -45.78 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 119.79 22.19 3.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 129.03 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -92.54 46.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.1 t -121.89 124.2 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 35.2 mm -60.65 106.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -118.4 140.04 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.3 mm -74.92 106.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.467 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 5.5 t -94.41 9.38 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -158.83 125.91 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG13 ' HB1' ' A' ' 59' ' ' ALA . 55.3 t -132.52 97.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.597 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -38.93 111.05 0.62 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.544 0.688 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.2 Cg_endo -69.8 -7.92 22.29 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.16 2.05 8.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -101.33 -161.8 27.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.97 19.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.23 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.857 ' CD1' HD23 ' A' ' 20' ' ' LEU . 94.9 mt -63.85 -50.57 68.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.424 HD12 HD11 ' A' ' 20' ' ' LEU . 89.9 mt -121.64 167.65 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.67 -179.55 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.3 tt0 -80.08 140.18 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' GLU . 1.3 m-80 74.99 25.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.605 ' OD2' HG11 ' A' ' 100' ' ' VAL . 23.7 p-10 -80.38 79.12 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HE ' ' CB ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -35.71 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.2 t -69.93 130.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -109.95 -57.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.486 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 6.2 ttp -130.41 146.5 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.553 HG23 ' HG3' ' A' ' 77' ' ' MET . 63.1 t -134.49 103.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 64.03 28.71 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.03 24.53 29.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.7 m -128.45 127.41 23.64 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG3' HG23 ' A' ' 72' ' ' VAL . 7.4 mmt -95.64 14.67 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.16 123.09 32.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t70 64.75 42.92 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.64 165.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.51 146.84 44.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -55.19 -24.39 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.1 t -84.72 -29.08 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.72 -36.46 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 17.6 tt0 -44.71 -55.23 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -54.89 -34.36 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.64 -46.44 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 6.3 ptp180 -72.12 -9.81 58.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -91.2 -48.51 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 t -46.77 119.33 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.23 -85.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -127.11 -35.88 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 21.8 mm -110.02 126.87 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 92' ' ' SER . . . -127.68 148.28 50.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 127.14 53.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.1 mt -123.06 136.39 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.52 98.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 67' ' ' ASP . 10.3 m -105.91 156.47 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -128.49 122.91 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.0 mtt-85 -104.3 131.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 116.29 4.49 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -103.89 78.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.625 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.0 mttm -45.31 142.12 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 106' ' ' VAL . 6.9 p -80.05 77.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -135.83 172.07 13.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.1 m -143.93 147.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.9 130.78 5.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.24 66.49 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.58 165.36 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.9 p -109.17 172.49 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.42 165.87 43.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 117.94 5.39 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.2 p -103.62 154.67 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 t -164.27 167.92 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -86.31 84.11 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -110.35 133.07 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.74 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -139.95 168.43 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -98.69 99.83 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.21 -40.21 0.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmm -49.29 168.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -122.11 176.56 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 -177.74 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 105' ' ' LYS . 12.1 p -152.48 135.29 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 10.0 mt -93.07 102.58 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.506 ' CD1' HG13 ' A' ' 11' ' ' VAL . 75.5 m95 -79.34 104.71 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.15 142.68 27.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -93.8 130.32 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 4.3 m-85 -110.25 109.32 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -88.8 97.87 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.09 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.29 137.11 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 62' ' ' LEU . 5.3 mt -104.22 141.17 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 50.6 mt-30 -107.37 128.45 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -53.44 94.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -49.95 179.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -37.64 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ARG . 26.8 mmtt -111.69 -61.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' LYS . 37.8 mmt-85 -35.9 -44.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.76 -128.95 9.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -67.5 -4.14 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.74 56.22 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 59' ' ' ALA . 7.2 pt -151.79 157.54 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.58 139.05 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' HG23 ' A' ' 48' ' ' ILE . 17.8 m -100.75 158.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 p -139.88 147.02 40.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.23 -177.41 36.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.69 145.36 6.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' N ' ' A' ' 80' ' ' VAL . 4.3 ppt_? -47.47 -20.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.15 -20.59 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -130.76 60.6 54.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.5 t-80 -47.55 -38.81 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' HIS . 3.1 t80 -32.39 103.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -33.12 -53.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -57.78 -57.89 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.72 76.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -128.33 118.04 22.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 p -81.15 49.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.5 m -127.0 109.08 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.519 HG13 ' HB2' ' A' ' 85' ' ' ALA . 46.1 mm -48.98 127.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -130.24 153.3 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.0 mm -84.6 103.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 t -93.14 18.94 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.828 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.8 m-20 -161.13 117.5 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.628 HG13 ' HB1' ' A' ' 59' ' ' ALA . 79.4 t -127.96 93.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.915 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.8 tp -33.24 108.85 0.31 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.0 Cg_endo -69.69 0.59 5.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.51 15.45 3.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.915 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -117.36 -155.5 10.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -41.07 4.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -55.34 -50.07 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.08 89.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 136.18 -56.21 0.7 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 20' ' ' LEU . 13.7 mt -68.83 -61.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 100' ' ' VAL . 74.9 mt -108.84 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' OD1' ' A' ' 67' ' ' ASP . 3.8 pt20 -142.13 170.37 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.6 tt0 -63.47 139.73 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 73.05 44.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' HG12 ' A' ' 49' ' ' VAL . 17.1 m-20 -93.36 106.52 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.7 mpt_? -57.6 91.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 77' ' ' MET . 15.7 t -62.44 123.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.97 -60.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ttm -131.27 148.62 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 98' ' ' ILE . 97.6 t -138.28 107.1 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 57.77 34.83 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.03 30.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -134.07 127.41 19.1 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.131 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.02 10.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.9 mmt -103.53 13.17 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.64 123.74 33.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.5 45.22 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.435 ' N ' ' HB3' ' A' ' 36' ' ' ARG . 18.0 m -120.54 171.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.07 150.07 28.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -53.9 -38.32 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -71.08 -30.96 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.0 -45.68 80.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -58.26 -52.3 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' LEU . 3.6 p -65.73 -40.26 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.429 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 12.5 tt0 -41.92 -48.94 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -60.89 -32.49 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' VAL . 89.2 mt -73.54 -50.01 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 ptm180 -64.47 -12.2 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 35.6 mtpt -87.58 -39.32 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -50.76 155.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.89 -68.39 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 95' ' ' ILE . 16.9 ttpt -132.95 -33.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.545 HD13 ' O ' ' A' ' 94' ' ' LYS . 17.0 mm -118.16 135.41 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.75 137.17 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.21 121.41 42.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.683 HG23 HG22 ' A' ' 72' ' ' VAL . 20.8 mt -126.95 120.86 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.49 102.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.795 HG21 HD22 ' A' ' 63' ' ' LEU . 33.7 m -107.07 172.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -140.66 122.8 15.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -101.56 138.77 19.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 112.98 3.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 9.7 ttt180 -102.42 79.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.548 ' N ' HG23 ' A' ' 11' ' ' VAL . 36.2 mttt -45.99 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 107' ' ' GLN . 65.7 t -53.81 158.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.502 ' N ' HG12 ' A' ' 106' ' ' VAL . 1.9 tm0? -121.29 134.35 55.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.8 m -98.8 139.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.74 136.32 9.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.8 52.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.34 123.31 28.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.4 t -150.33 141.38 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.6 120.6 22.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 139.71 41.11 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 p -98.99 149.17 23.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.4 p -57.43 161.78 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 49.71 42.08 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -156.0 144.91 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.63 159.81 27.84 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -113.35 129.22 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -131.41 -55.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.92 55.07 2.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -63.84 161.34 15.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.88 129.17 56.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -103.83 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 105' ' ' LYS . 11.6 p -153.69 138.38 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.76 104.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.463 ' CD1' HG13 ' A' ' 11' ' ' VAL . 78.3 m95 -80.8 102.88 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -95.97 139.71 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -93.83 132.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 2.5 m-85 -112.52 109.89 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -96.27 98.56 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.21 154.84 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -111.04 126.98 55.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 62' ' ' LEU . 6.3 mt -105.16 146.08 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 50.6 mt-30 -104.44 136.75 43.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -72.34 90.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.3 t0 -53.91 -175.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.35 -72.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -112.28 -60.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -45.36 -21.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 56.98 -114.55 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CE2' ' CE ' ' A' ' 22' ' ' LYS . 23.4 m-85 -77.18 1.46 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.19 56.31 4.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.532 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -151.1 148.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.76 137.99 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' HG23 ' A' ' 48' ' ' ILE . 30.4 m -106.47 147.49 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -140.16 143.51 36.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.77 -157.03 15.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.9 146.9 4.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ptt85 -60.07 -12.35 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.72 -27.73 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.41 65.13 71.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 79.99 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.89 -44.47 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -34.53 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 41' ' ' PHE . 8.6 pt-20 -32.88 -43.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 18.4 t-20 -63.55 -58.16 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.45 72.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.5 tt0 -121.87 106.16 11.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 p -79.36 52.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.1 m -139.12 110.27 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.6 HG13 ' HB2' ' A' ' 85' ' ' ALA . 47.0 mm -39.3 141.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 HD12 ' HB ' ' A' ' 30' ' ' ILE . 29.7 mm -76.51 107.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -94.64 12.16 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -163.96 129.45 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.485 HG13 ' HB1' ' A' ' 59' ' ' ALA . 71.5 t -133.14 93.63 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.613 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.5 105.77 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.705 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.8 Cg_endo -69.74 4.32 2.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.499 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -140.2 14.24 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.613 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -118.21 -157.36 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.77 23.27 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -69.2 -36.52 77.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -55.53 94.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.858 HD12 HD23 ' A' ' 20' ' ' LEU . 93.9 mt -63.17 -56.87 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 20' ' ' LEU . 76.7 mt -118.58 173.08 7.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.481 ' HA ' HG21 ' A' ' 53' ' ' VAL . 34.4 mt-30 -141.56 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.59 146.21 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.452 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 19.6 m-80 71.23 29.24 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' VAL . 4.8 m-20 -84.18 86.83 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -42.11 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HA ' HG12 ' A' ' 100' ' ' VAL . 43.9 t -65.86 128.83 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -109.34 -54.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.3 ttm -132.88 150.93 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' ' 77' ' ' MET . 92.7 t -143.51 105.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 61.16 30.12 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.31 29.4 22.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -133.45 126.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 0.0 111.087 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.66 7.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.61 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.5 mmt -100.31 13.88 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.84 126.55 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 61.53 45.75 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 173.37 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.0 t-80 -53.24 -37.06 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -70.36 -28.41 65.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -73.36 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.5 -48.53 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.0 p -63.9 -41.6 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.484 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.9 tp60 -40.17 -57.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -49.64 -40.09 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.4 -48.9 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.3 ptp180 -72.41 -15.36 61.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -84.31 -37.84 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -57.93 145.12 36.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.63 -77.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -126.14 -39.76 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 45.3 mm -107.58 134.93 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.73 133.3 44.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.94 120.5 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 100' ' ' VAL . 85.2 mt -120.77 140.3 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.92 99.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 69' ' ' VAL . 30.1 m -107.45 165.26 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -128.41 122.62 31.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 26.3 mtm180 -105.79 133.55 20.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' LYS . 12.9 ttt-85 -111.85 71.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.3 mttp -38.18 150.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.9 t -60.37 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -160.76 152.52 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.99 131.78 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.5 138.49 75.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.44 30.94 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -146.56 151.48 37.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -67.79 162.06 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.04 -156.23 7.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -23.68 30.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.4 m -42.19 112.48 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.4 m -109.53 -56.52 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -62.08 140.68 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -106.91 -56.2 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 96.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -69.44 100.08 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t 60.06 38.8 20.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.3 -65.35 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 mtt -101.82 145.49 29.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.34 121.7 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HB2' HG11 ' A' ' 106' ' ' VAL . 15.2 mt-10 -107.77 -179.53 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG11 ' NE1' ' A' ' 13' ' ' TRP . 2.2 t -150.59 134.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -118.64 98.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.554 ' NE1' HG11 ' A' ' 11' ' ' VAL . 73.6 m95 -78.22 104.63 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 13.5 mt-10 -99.15 140.48 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.3 131.13 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CB ' HH21 ' A' ' 102' ' ' ARG . 90.6 m-85 -115.96 114.99 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -100.45 99.05 9.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.29 155.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.688 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -108.52 135.97 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 63' ' ' LEU . 3.7 mt -113.02 139.74 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HA ' HD13 ' A' ' 95' ' ' ILE . 55.4 mt-30 -94.98 138.38 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' ASP . 5.7 tttt -71.51 87.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 1.6 t70 -50.18 -177.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.9 p -42.43 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -112.03 -47.99 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -57.97 -11.26 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 52.83 -126.4 32.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.45 -4.82 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.19 49.72 58.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.594 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -143.71 144.71 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -131.68 136.33 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.9 m -103.3 150.5 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -140.62 153.7 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.4 -153.42 18.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 157.75 7.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -17.64 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.31 -23.78 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.46 60.69 44.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 79.95 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.6 t-80 -43.95 -40.79 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' GLU . 3.3 t80 -33.87 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 9.5 pt-20 -33.86 -44.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -60.54 -53.82 52.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.22 20.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.56 130.62 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.394 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 p -98.85 46.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -124.36 113.78 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 32' ' ' VAL . 44.7 mm -47.41 140.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -143.29 154.03 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.594 HD12 ' HB ' ' A' ' 30' ' ' ILE . 32.7 mm -80.85 109.13 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 6.8 t -99.42 16.9 21.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 15.3 m-20 -163.96 120.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' A' ' 59' ' ' ALA . 82.5 t -127.93 93.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.744 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.23 106.26 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.75 4.22 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -143.19 17.22 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.744 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.74 -152.94 9.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -53.3 -48.25 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -42.53 91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.89 -53.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 20' ' ' LEU . 38.1 mt -63.47 -56.96 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 20' ' ' LEU . 82.9 mt -119.87 167.0 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' ' NH1' ' A' ' 102' ' ' ARG . 15.0 mt-30 -132.87 178.32 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.21 149.44 38.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 m120 64.85 30.85 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.47 92.08 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -42.01 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 100' ' ' VAL . 13.7 t -77.3 125.42 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t -106.59 -57.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 2.9 ttp -129.98 145.46 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.3 t -134.93 103.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 64.06 28.49 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.23 22.35 35.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 m -125.92 127.77 24.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.657 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.8 mmt -95.54 15.0 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.5 123.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 65.3 41.71 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.553 ' HB ' ' CD1' ' A' ' 84' ' ' PHE . 11.3 m -116.51 172.2 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.16 149.29 23.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.3 t-80 -51.65 -35.12 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -77.59 -24.28 49.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.553 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 54.2 t80 -75.48 -45.18 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -62.37 -46.98 86.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.057 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.4 p -66.11 -37.92 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -40.19 -58.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -46.74 -42.97 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.76 -54.68 44.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.68 -19.48 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -81.41 -37.58 27.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t -58.23 138.27 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.83 -82.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -124.62 -36.51 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' GLN . 40.5 mm -113.74 130.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.81 148.43 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.22 127.01 53.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.514 HD12 HD12 ' A' ' 20' ' ' LEU . 35.8 mt -125.54 136.24 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.78 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -108.63 162.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 41.8 pttt -127.83 124.58 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.415 HH21 ' CB ' ' A' ' 16' ' ' TYR . 39.9 mtm180 -112.74 129.39 24.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.72 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 126.78 13.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -105.23 77.22 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -49.03 133.3 18.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 10' ' ' GLU . 1.4 p -88.89 133.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -164.61 138.4 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 m -99.02 143.24 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.34 135.84 5.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.89 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.04 149.41 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.2 t -77.9 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.61 -128.21 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 124.88 11.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m -83.18 -54.45 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.2 m -44.48 136.88 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.425 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -120.66 -44.99 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 p -64.06 125.49 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 -66.69 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -97.07 -48.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -96.31 -68.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.58 173.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -94.13 159.1 15.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -72.46 178.04 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.72 170.76 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 105' ' ' LYS . 13.4 p -154.48 141.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.98 103.47 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.483 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 70.8 m95 -79.09 106.39 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -94.93 145.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 m-85 -115.31 110.8 19.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.0 m -98.03 100.08 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.32 144.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.41 130.34 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.891 HD23 HD12 ' A' ' 62' ' ' LEU . 5.9 mt -108.16 139.42 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 58.5 mt-30 -97.51 128.17 44.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE3' ' CZ ' ' A' ' 28' ' ' PHE . 5.4 ttmt -59.71 85.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.06 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.5 m -38.47 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -112.76 -50.26 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . 3.0 mmp_? -47.61 -26.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 -79.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 25.0 m-85 -117.42 4.22 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.82 48.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.6 pt -136.61 150.86 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.088 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -135.1 141.11 45.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.55 143.41 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -135.43 152.49 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.66 -143.55 15.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.19 140.07 4.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -65.37 -8.48 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.75 -27.93 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -134.02 59.97 41.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 81.55 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.508 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -45.26 -41.66 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -28.72 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 41' ' ' PHE . 4.4 tp10 -31.39 -45.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -68.02 -58.5 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.8 76.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 47.7 tt0 -133.56 80.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.6 p -38.75 -38.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 m -46.01 105.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 85' ' ' ALA . 22.5 mm -41.55 143.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -147.3 146.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 30' ' ' ILE . 10.0 mm -80.1 104.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -96.02 18.55 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t70 -164.19 124.59 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.7 t -133.99 93.79 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 56' ' ' GLY . 0.7 OUTLIER -37.51 106.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.8 4.72 2.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.518 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -138.73 10.64 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.481 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -111.34 -159.91 16.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.57 23.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -69.41 -41.98 75.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -45.79 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.25 -48.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.891 HD12 HD23 ' A' ' 20' ' ' LEU . 97.8 mt -66.38 -54.55 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 20' ' ' LEU . 20.6 mt -114.68 175.67 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 7.5 pt20 -142.01 170.89 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.67 147.01 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 68' ' ' ARG . 35.4 m-80 68.25 33.59 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 25.5 m-20 -88.46 99.89 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -52.76 96.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.5 t -67.73 122.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.43 -53.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttm -135.19 153.05 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.6 t -141.8 105.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.82 25.02 14.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.48 23.07 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 m -127.19 126.76 24.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.703 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.58 8.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.0 mmt -100.61 19.14 17.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.14 119.21 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 t0 66.05 42.19 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.13 173.11 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -82.69 143.81 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -50.01 -36.29 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -75.29 -26.16 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.08 -39.95 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.44 -48.54 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -64.85 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.9 tp60 -40.72 -58.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -49.03 -39.98 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.0 mt -60.12 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 15.3 ptm180 -67.22 -28.68 68.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -75.44 -28.43 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -61.2 129.05 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.28 -73.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -129.12 -44.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 32.4 mm -106.45 128.62 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.65 128.24 52.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.57 118.74 33.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 100' ' ' VAL . 66.8 mt -119.18 124.6 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -103.77 99.36 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 98' ' ' ILE . 5.0 m -106.28 168.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -133.57 135.25 44.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 32.1 mtt180 -123.13 141.52 36.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 121.08 7.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 105' ' ' LYS . 22.2 ttt-85 -110.43 69.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 11' ' ' VAL . 27.6 mtmt -35.89 148.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.6 t -71.39 134.02 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -138.06 125.1 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.6 m -106.54 157.19 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.69 112.96 4.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.46 3.09 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 112' ' ' SER . 2.6 pt? -39.35 143.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' LEU . 54.2 m -34.52 125.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.14 176.86 39.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.43 14.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 62.32 41.5 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -83.38 114.06 21.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -93.75 133.31 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -89.96 134.31 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -101.51 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 55.69 44.65 26.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -92.78 154.04 18.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.53 114.06 3.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mtt -141.34 110.66 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -50.07 174.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -111.43 176.74 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.569 HG11 ' NE1' ' A' ' 13' ' ' TRP . 2.2 t -143.53 130.67 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt -115.51 99.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' NE1' HG11 ' A' ' 11' ' ' VAL . 74.7 m95 -78.47 102.51 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.64 142.24 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -93.23 147.55 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -132.31 111.06 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -98.0 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.9 m -122.64 146.22 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.48 131.15 52.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.875 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.8 mt -108.9 158.25 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 35.6 mt-30 -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.92 91.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.7 t70 -56.54 174.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.8 p -54.58 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -110.85 -18.16 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 mmp_? -112.64 61.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -25.11 -91.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 9.7 m-85 -100.87 4.95 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.08 53.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.5 pt -144.03 147.7 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -133.42 131.13 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.14 146.06 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -131.55 128.37 39.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.94 -148.47 20.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.05 116.78 1.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -47.38 -24.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.73 -27.9 9.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -134.71 68.8 72.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 81.88 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.506 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -43.52 -42.89 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -29.74 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.2 mp0 -30.95 -48.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.02 -56.75 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.0 80.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 3.1 tp10 -134.18 120.37 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -87.22 51.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -135.8 122.1 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.96 107.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -121.2 147.83 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.582 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -84.0 103.73 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.0 t -97.16 17.84 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.809 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.7 m-20 -162.59 120.97 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 54' ' ' LEU . 57.1 t -131.91 93.78 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.9 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.33 113.09 0.4 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.56 18.88 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.39 10.69 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.9 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -104.19 -164.7 24.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -26.3 27.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -71.7 -33.9 69.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -52.37 88.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.32 -48.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 20' ' ' LEU . 98.8 mt -66.8 -48.13 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' CD1' HD11 ' A' ' 20' ' ' LEU . 63.4 mt -120.41 169.83 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -136.14 177.15 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.2 tt0 -81.65 140.33 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 10.3 m-80 71.25 36.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.726 ' OD2' HG11 ' A' ' 100' ' ' VAL . 34.0 p-10 -91.32 82.85 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 1.2 mpp_? -42.17 96.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 100' ' ' VAL . 62.8 t -64.92 149.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -125.41 -44.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttm -143.12 149.37 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 77' ' ' MET . 95.7 t -142.13 106.63 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 60.75 26.78 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.73 30.55 11.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -134.7 126.08 17.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.89 8.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.475 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -99.77 18.71 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -93.77 125.67 38.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 61.34 43.67 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.28 166.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.8 146.39 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -47.97 -45.79 31.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 t -61.55 -35.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.05 -43.49 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.23 77.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.9 p -65.36 -42.57 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' VAL . 3.5 tp60 -36.63 -59.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -48.41 -38.31 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 27.0 mt -63.27 -53.44 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 10.8 ptm180 -64.73 -29.01 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.71 -34.62 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t -57.74 133.22 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.24 -69.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -133.36 -43.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.8 mm -106.78 137.79 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.48 137.33 49.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 109.84 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.9 133.59 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.67 98.97 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.726 HG11 ' OD2' ' A' ' 67' ' ' ASP . 13.9 m -104.81 165.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -129.22 132.7 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -121.99 127.73 25.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.84 127.27 14.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -106.82 82.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -56.81 146.97 24.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.0 106.38 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -136.37 135.54 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.6 m -87.45 134.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -49.59 143.87 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.85 16.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 tp -81.81 124.51 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 82.8 p -52.62 165.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.85 118.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.89 16.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 86.8 p -128.88 93.72 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -149.93 114.7 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -169.0 158.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -53.88 118.16 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -121.64 76.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 46.1 m -36.29 117.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.868 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -103.61 135.73 44.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.35 69.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 ttp -168.99 148.73 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.41 164.67 15.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -130.33 170.76 13.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 105' ' ' LYS . 7.7 p -151.85 138.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 mt -94.46 103.53 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.471 ' CD1' HG13 ' A' ' 11' ' ' VAL . 77.6 m95 -80.52 103.11 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -94.97 135.9 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -93.7 132.22 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 1.7 m-85 -114.9 109.15 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -95.38 97.9 10.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -120.51 159.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -116.59 131.53 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 28' ' ' PHE . 3.7 mt -106.63 145.83 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 62.6 mt-30 -102.53 129.63 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 28' ' ' PHE . 5.8 ttmt -62.0 90.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 12.1 t0 -57.95 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -57.75 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -109.81 -11.61 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' O ' ' C ' ' A' ' 27' ' ' GLY . 25.9 mmt180 -114.07 51.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -16.49 -94.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.657 ' HB3' HD13 ' A' ' 20' ' ' LEU . 8.0 m-85 -96.06 8.42 43.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.32 48.25 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.627 ' HB ' HD12 ' A' ' 50' ' ' ILE . 3.2 pt -140.79 141.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -126.66 130.52 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' A' ' 48' ' ' ILE . 8.7 m -98.43 148.46 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -138.13 147.32 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.8 -162.49 13.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.55 145.16 4.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -62.2 -10.49 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -122.96 -25.49 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -131.16 60.39 52.59 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.28 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.3 t-80 -48.45 -43.44 34.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -33.25 101.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.1 pt-20 -34.5 -42.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -59.9 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 121.02 12.1 6.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.2 tp10 -72.06 117.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.1 p -85.62 49.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.8 p -119.95 125.66 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' HB ' ' A' ' 32' ' ' VAL . 26.7 mm -62.7 102.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -112.24 144.76 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.627 HD12 ' HB ' ' A' ' 30' ' ' ILE . 20.9 mm -74.41 104.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -95.75 19.74 10.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 29.3 t70 -164.37 120.04 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.8 t -135.02 93.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 9.3 tp -40.26 111.62 0.77 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.2 Cg_endo -69.8 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.3 17.85 6.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -157.76 10.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -44.29 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -56.54 -43.22 79.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -43.39 92.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.78 -50.69 0.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 18' ' ' VAL . 37.9 mt -68.27 -36.97 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 20' ' ' LEU . 80.1 mt -136.41 162.82 31.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' CG ' HH12 ' A' ' 102' ' ' ARG . 87.7 mt-30 -131.95 177.35 7.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.2 tt0 -75.34 141.39 43.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 72.03 35.41 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 6.1 m-20 -86.39 84.72 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.0 mpt_? -37.84 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG12 ' HG3' ' A' ' 77' ' ' MET . 58.8 t -68.49 124.77 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.33 -54.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.2 ttm -134.11 153.49 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 77' ' ' MET . 96.5 t -143.68 105.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 62.64 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.92 24.09 23.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.463 HG22 ' CE ' ' A' ' 77' ' ' MET . 86.1 m -126.7 130.6 23.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.73 8.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.695 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.4 mmt -103.09 17.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -93.09 126.72 38.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 59.85 46.65 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.09 170.45 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -81.13 149.57 29.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.7 t-80 -55.05 -35.97 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -72.65 -25.87 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -75.42 -41.67 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.41 83.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.33 -36.84 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.4 tp-100 -42.75 -57.78 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -49.08 -39.21 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.26 -50.65 72.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.9 ptm85 -68.97 -26.24 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -71.9 -38.17 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -53.31 145.5 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.06 -73.88 0.97 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -127.85 -44.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 20.9 mm -111.12 125.64 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.82 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.89 113.54 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.43 HG22 HG13 ' A' ' 100' ' ' VAL . 66.6 mt -115.14 128.09 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.95 99.73 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.43 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -107.75 166.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -131.64 123.56 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -102.77 127.84 29.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.86 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -111.36 83.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 11' ' ' VAL . 76.6 mttt -52.39 140.76 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 90.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -119.76 159.91 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.3 m -124.32 161.77 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.77 132.55 93.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -175.87 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.654 HD23 ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -136.14 115.98 13.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.0 m -131.09 164.36 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -98.59 174.98 28.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 173.09 11.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -143.49 169.65 17.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 m -39.53 -50.79 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -65.01 151.37 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 p -103.91 -57.07 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.4 -161.78 25.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -92.9 135.47 34.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 -80.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -97.57 172.35 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -68.38 179.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.02 -176.88 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' N ' ' A' ' 105' ' ' LYS . 12.0 p -156.76 141.53 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 8.1 mt -99.2 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 66.0 m95 -78.93 105.85 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -95.13 143.13 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 9.2 mt-30 -93.84 156.03 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 17.4 m-85 -141.93 110.12 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -93.88 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -124.32 147.48 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.74 131.82 53.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.879 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.1 mt -108.93 159.24 16.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mt-30 -115.8 132.0 56.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.0 89.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.0 t0 -55.0 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 m -50.31 -71.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -35.76 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' O ' ' C ' ' A' ' 27' ' ' GLY . 74.9 mmt-85 -85.55 39.28 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.662 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -2.05 -104.32 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 5.2 m-85 -84.87 1.82 45.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ARG . . . 44.24 55.49 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.825 ' HB ' HD12 ' A' ' 50' ' ' ILE . 1.1 pt -144.62 148.78 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -131.74 139.3 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -105.74 142.88 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 143.7 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.32 -158.42 21.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.31 170.18 22.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 37' ' ' ASP . 13.3 ptm180 -63.4 -39.86 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 7.9 m-20 -98.54 -13.42 20.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.68 58.89 39.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 79.68 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -48.08 -43.24 30.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -35.89 98.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.5 pt-20 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' PHE . 7.0 m120 -63.93 -58.06 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.11 31.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.58 116.18 25.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -84.93 46.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -126.08 116.43 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.603 HG13 ' HB2' ' A' ' 85' ' ' ALA . 50.6 mm -50.16 135.88 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -138.36 149.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.825 HD12 ' HB ' ' A' ' 30' ' ' ILE . 17.8 mm -82.5 98.93 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -88.93 19.99 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t70 -162.58 122.68 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.0 t -134.98 94.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.737 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.6 tp -38.76 112.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.39 14.73 6.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.737 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -112.33 -161.08 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -34.8 13.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.01 -37.3 87.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -48.75 89.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.02 -51.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.879 ' CD1' HD23 ' A' ' 20' ' ' LEU . 51.8 mt -63.97 -49.57 72.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 20' ' ' LEU . 67.8 mt -119.56 171.57 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -138.03 167.2 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.45 134.8 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 72.62 37.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' OD2' HG11 ' A' ' 100' ' ' VAL . 43.4 p-10 -83.79 84.85 7.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 3.8 mpt_? -36.24 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 90.7 t -70.91 141.29 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.94 -54.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttm -136.47 151.55 49.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.7 t -141.87 107.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 58.85 25.78 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.97 24.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.504 HG22 ' CE ' ' A' ' 77' ' ' MET . 89.6 m -125.18 126.79 25.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.95 10.6 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.526 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.7 mmt -105.17 14.78 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.15 118.67 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 66.81 44.35 2.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.88 164.6 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.89 141.01 39.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -47.5 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -56.8 -44.12 81.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.1 -35.71 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.603 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -68.5 -52.85 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.08 -38.89 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.0 tp60 -40.37 -58.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -49.47 -41.18 39.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 mt -59.53 -52.74 64.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 7.4 ptm180 -65.19 -30.62 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -71.12 -30.52 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 t -62.53 130.51 45.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.09 -83.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -124.33 -36.28 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 30.2 mm -113.09 134.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.33 151.1 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.24 107.64 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.512 HG23 HG22 ' A' ' 72' ' ' VAL . 59.4 mt -110.21 142.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 t -118.51 98.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG11 ' OD2' ' A' ' 67' ' ' ASP . 20.1 m -100.09 -177.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -147.18 130.92 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 137.66 20.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 112.93 3.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.634 2.222 . . . . 0.0 112.389 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 6.7 ttt85 -106.83 81.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.661 ' N ' HG23 ' A' ' 11' ' ' VAL . 11.6 mttp -45.17 140.24 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 106' ' ' VAL . 7.8 p -73.62 118.36 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -167.94 177.45 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.01 174.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -97.66 155.77 36.83 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.9 Cg_endo -69.69 143.85 52.48 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.3 tp -93.6 105.62 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.4 p -44.5 147.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.47 152.94 22.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 161.58 45.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p -121.04 127.72 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.8 t -88.0 -50.31 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -124.85 168.64 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -75.02 117.03 16.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -172.17 131.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -73.83 114.21 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.21 -74.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -58.35 174.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.58 177.17 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -113.85 179.31 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.52 HG23 ' HA ' ' A' ' 105' ' ' LYS . 14.4 p -151.28 143.85 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -103.46 103.34 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -78.82 109.06 12.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.8 135.02 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -94.55 137.98 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -124.51 111.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -98.06 103.95 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -127.38 155.47 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.58 133.4 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.769 HD23 HD12 ' A' ' 62' ' ' LEU . 3.3 mt -110.02 149.94 29.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HA ' HD13 ' A' ' 95' ' ' ILE . 71.7 mt-30 -103.7 124.03 48.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.02 91.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.2 t70 -61.51 174.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -45.62 -64.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -111.73 -40.13 4.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' GLY . 9.2 mpt_? -85.95 49.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.602 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -15.94 -73.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' HB3' HD13 ' A' ' 20' ' ' LEU . 13.8 m-85 -113.06 10.71 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.59 57.05 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.61 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -145.68 143.67 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -125.94 124.57 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 m -96.03 152.1 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -147.29 141.15 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.61 -152.88 17.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 152.73 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -64.8 -20.36 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.4 -21.28 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -133.4 57.62 27.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.711 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 89.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.0 t-80 -59.8 -40.79 89.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.9 t80 -31.15 104.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.6 tt0 -29.6 -53.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -53.74 -60.74 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.61 29.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.84 131.16 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.9 p -100.41 49.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.421 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.0 m -130.5 168.77 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.727 HG13 ' HB2' ' A' ' 85' ' ' ALA . 30.3 mm -99.77 110.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.33 150.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.61 HD12 ' HB ' ' A' ' 30' ' ' ILE . 15.1 mm -84.01 103.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -94.15 18.08 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.7 t0 -163.76 123.77 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' LEU . 65.9 t -135.02 93.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.948 HD23 ' HA3' ' A' ' 57' ' ' GLY . 6.8 tp -32.13 115.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.7 Cg_endo -69.69 -10.52 28.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.65 35.17 2.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.948 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -128.86 -158.47 9.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.82 11.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -67.7 -37.45 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -49.21 90.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.48 -51.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.769 HD12 HD23 ' A' ' 20' ' ' LEU . 94.4 mt -66.8 -44.62 80.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.56 HD12 HD11 ' A' ' 20' ' ' LEU . 66.7 mt -125.92 165.77 18.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 15.4 mt-30 -137.94 163.35 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.88 141.32 58.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m120 74.93 27.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.518 ' HB3' HG21 ' A' ' 100' ' ' VAL . 7.4 m-20 -80.13 76.93 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -35.94 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 77' ' ' MET . 48.4 t -67.81 129.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -111.0 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 ttm -134.19 153.12 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.4 t -138.78 104.96 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 55.01 35.03 23.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 22.76 40.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 88' ' ' GLN . 22.4 m -122.56 124.24 26.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 125.2 11.9 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 69' ' ' VAL . 6.8 mmt -108.52 15.19 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.12 122.9 35.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 64.75 43.96 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.03 174.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.6 142.75 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -47.97 -40.28 21.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.8 p -67.19 -32.69 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -67.73 -39.59 84.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.727 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.33 -46.29 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.95 -41.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -40.38 -58.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.1 mm-40 -49.84 -41.19 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.06 -53.04 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -66.66 -22.65 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.81 -34.44 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -56.23 124.35 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.59 -80.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -130.71 -49.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 21' ' ' GLN . 30.3 mm -103.34 133.64 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -130.93 152.51 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.16 104.94 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -102.87 137.25 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 t -112.29 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.518 HG21 ' HB3' ' A' ' 67' ' ' ASP . 3.8 m -106.25 154.41 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -122.97 124.44 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -106.56 134.87 19.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 115.52 4.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' LYS . 13.0 ttt180 -104.05 70.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HA ' HG23 ' A' ' 11' ' ' VAL . 1.3 mtmp? -34.04 134.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 106' ' ' VAL . 8.1 p -68.17 110.33 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -97.79 154.86 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.2 m -78.74 159.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.59 24.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.56 67.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.41 147.99 26.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.9 p -107.33 156.15 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.98 159.26 23.47 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 94.2 p -144.92 141.78 29.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 90.0 p -87.12 -44.85 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -81.09 -47.01 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t 58.45 34.3 23.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.71 -87.47 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -117.98 126.97 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p -166.79 130.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.93 -157.37 28.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.8 121.76 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.727 0.299 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -132.04 91.95 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -135.85 172.19 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 105' ' ' LYS . 10.9 p -148.17 142.63 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.17 105.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.402 ' CZ2' ' HB3' ' A' ' 103' ' ' PRO . 71.0 m95 -82.09 105.13 12.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.59 139.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -93.8 135.14 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 102' ' ' ARG . 5.5 m-85 -120.92 110.61 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -103.55 99.27 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -117.35 156.3 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.82 128.74 55.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.642 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.6 mt -106.99 151.06 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' GLY . 70.4 mt-30 -105.51 125.83 51.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -59.05 92.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 18.5 t70 -63.47 169.18 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -39.33 -66.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -111.57 -42.21 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HG2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -82.41 47.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -14.67 -71.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' A' ' 20' ' ' LEU . 14.2 m-85 -114.74 5.35 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.8 49.21 3.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.625 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -139.85 156.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.62 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 m -104.53 150.92 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -143.04 141.11 31.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.5 -151.3 17.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.15 141.16 3.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB3' ' C ' ' A' ' 79' ' ' ASP . 6.0 ptm180 -55.63 -13.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.7 -20.52 7.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -132.75 58.56 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.377 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.1 t-80 -42.21 -45.67 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -33.12 100.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.8 pp20? -34.03 -53.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 16.4 t30 -56.68 -57.64 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.42 76.82 0.25 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -131.67 80.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.1 p -42.11 -38.1 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -40.7 112.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 85' ' ' ALA . 45.9 mm -52.91 126.59 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -126.09 152.23 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.6 mm -85.57 103.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -94.47 19.01 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.8 t0 -162.36 122.21 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.4 t -135.0 93.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.652 HD22 ' HG2' ' A' ' 26' ' ' ARG . 6.8 tp -37.07 114.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.61 21.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.86 30.73 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.608 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -125.95 -161.62 11.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.72 -33.38 16.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.276 . . . . 0.0 112.361 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.58 -36.33 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.77 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.69 -46.36 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.937 ' O ' HG21 ' A' ' 18' ' ' VAL . 34.8 mt -71.33 -35.11 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.506 ' CD1' HD11 ' A' ' 20' ' ' LEU . 74.4 mt -133.04 165.82 23.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -135.82 167.82 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.0 144.98 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 65.41 34.91 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' ARG . 52.0 p-10 -83.27 82.44 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.1 mpt_? -34.21 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ASP . 60.0 t -70.66 127.29 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 t -108.11 -57.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 ttm -132.89 153.8 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 86.3 t -139.82 104.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 58.96 30.59 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.65 22.86 32.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.411 HG22 ' CE ' ' A' ' 77' ' ' MET . 30.4 m -125.76 127.51 24.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 124.8 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.6 mmt -106.72 16.15 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.67 121.94 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.41 ' C ' ' HB3' ' A' ' 36' ' ' ARG . 7.9 t0 66.22 45.21 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.401 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.5 m -123.48 166.95 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.34 147.6 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.864 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.4 t-80 -50.82 -36.15 35.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -70.13 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.0 t80 -71.89 -41.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -65.29 -50.02 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.1 p -62.86 -38.29 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.456 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -42.79 -57.2 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -50.18 -40.44 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.73 -48.84 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.9 ptp180 -71.21 -20.95 62.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -80.16 -42.74 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -45.86 126.13 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.17 -75.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -130.93 -46.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 38.7 mm -105.95 138.35 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.0 154.27 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.74 104.44 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 72' ' ' VAL . 63.6 mt -102.61 135.42 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.7 t -110.18 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -105.16 168.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -135.81 120.91 18.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 10.5 mtt180 -105.32 131.48 21.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.77 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.489 ' C ' HG23 ' A' ' 11' ' ' VAL . 10.3 ttp85 -107.06 91.51 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.527 ' N ' HG23 ' A' ' 11' ' ' VAL . 37.5 mttp -60.84 137.7 58.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.3 112.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -144.64 176.88 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.1 159.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.42 133.4 24.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -174.59 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.0 tp -80.4 142.43 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.0 m -44.23 125.69 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.34 169.96 36.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.21 39.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.751 2.3 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.9 p -110.08 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -41.86 148.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -88.16 177.36 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -120.0 -47.12 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.24 99.64 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -164.91 109.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -112.33 161.41 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.14 -43.1 1.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtt -49.35 162.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.66 166.41 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -139.89 171.14 14.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.635 HG23 ' N ' ' A' ' 105' ' ' LYS . 9.8 p -158.75 143.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -102.12 103.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -78.62 106.74 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.94 142.11 27.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -94.03 138.13 32.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -124.28 108.27 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 m -95.24 98.58 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -118.27 148.08 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.631 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -105.75 132.85 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.6 mt -107.57 149.48 27.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 49.8 mt-30 -112.83 124.4 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -56.48 96.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 8.7 t0 -51.31 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.4 m -42.27 -76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -111.98 -57.93 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -44.08 -38.74 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.493 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 79.77 -141.61 23.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -50.06 -18.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.59 52.56 44.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 59' ' ' ALA . 14.1 pt -142.68 158.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -144.74 133.11 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 48' ' ' ILE . 14.4 m -103.03 150.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -140.17 144.58 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -179.62 20.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.47 157.95 16.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -68.28 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.21 -27.64 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.83 58.82 41.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.84 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.5 t-80 -53.53 -37.02 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -32.6 106.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -32.49 -53.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -59.27 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 125.44 21.53 2.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.422 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.08 111.37 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.6 p -82.38 46.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.5 m -128.56 124.58 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.466 HG23 ' HB ' ' A' ' 32' ' ' VAL . 34.7 mm -56.54 126.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -131.37 154.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -86.38 98.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -89.33 13.81 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.3 t70 -156.42 125.48 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.502 HG13 ' HB1' ' A' ' 59' ' ' ALA . 53.3 t -135.05 93.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.956 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.2 tp -33.51 112.09 0.39 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.42 13.3 5.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.956 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -111.11 -159.28 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -37.74 8.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -57.29 -46.12 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -48.13 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 127.09 -52.2 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 20' ' ' LEU . 68.3 mt -67.84 -46.76 70.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 20' ' ' LEU . 79.3 mt -124.99 167.28 14.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -130.37 179.68 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.18 144.87 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.75 40.07 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.972 ' OD2' HG21 ' A' ' 100' ' ' VAL . 11.0 t0 -89.54 90.35 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.5 mpt_? -37.35 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 t -78.02 131.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.34 -58.51 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 9.3 ttp -130.01 147.4 51.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 69.4 t -135.29 104.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 64.19 27.93 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.1 26.15 24.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 m -130.11 126.84 22.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 72' ' ' VAL . 8.6 mmt -95.41 13.57 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.88 125.51 34.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 t70 65.35 42.04 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -122.78 170.56 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.01 153.05 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.787 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.2 t-80 -54.62 -39.04 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -67.57 -29.15 68.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -74.12 -41.86 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.84 -46.67 80.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.39 -36.1 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -43.45 -57.14 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -48.35 -42.25 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.32 -54.19 49.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.7 ptm85 -65.37 -26.04 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -74.6 -40.95 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -53.68 153.51 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.35 -90.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -112.07 -37.41 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 21' ' ' GLN . 46.0 mm -115.11 133.48 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.58 138.8 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.55 132.12 47.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.5 136.87 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.9 t -113.45 98.85 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.972 HG21 ' OD2' ' A' ' 67' ' ' ASP . 33.9 m -100.88 169.66 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -138.01 118.07 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -105.96 135.99 19.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.73 18.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' LYS . 16.8 ttt180 -110.86 60.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.635 ' N ' HG23 ' A' ' 11' ' ' VAL . 14.2 mtmt -34.45 141.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.53 90.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 105' ' ' LYS . 27.7 mt-30 -82.08 145.51 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.52 155.31 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -45.92 132.93 6.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 111' ' ' LEU . 53.5 Cg_endo -69.78 -177.29 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 111' ' ' LEU . 3.6 pp 32.77 44.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 t -73.03 127.14 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.01 -123.96 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.36 11.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.8 p -120.54 175.88 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.9 m -101.77 130.52 48.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.523 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -135.93 160.85 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -171.18 176.7 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.95 145.67 16.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -164.69 169.4 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -173.16 156.95 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.49 93.22 1.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttt -139.85 143.22 36.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.82 153.51 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG12 ' A' ' 106' ' ' VAL . 20.8 mt-10 -133.0 171.9 13.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 105' ' ' LYS . 11.1 p -141.4 140.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.39 105.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 53.3 m95 -78.83 113.13 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' HG3' ' NE ' ' A' ' 104' ' ' ARG . 15.1 mm-40 -99.3 143.18 29.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -93.97 148.36 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -132.57 119.64 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -104.86 100.03 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.4 m -118.93 142.62 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.83 131.06 53.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.4 mt -107.06 142.84 36.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 41.3 mt-30 -99.08 131.65 44.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -64.85 89.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.49 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 9.3 t70 -55.44 166.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.0 p -44.56 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -110.03 -21.59 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.8 mmt180 -106.49 58.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -24.41 -90.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 30' ' ' ILE . 9.6 m-85 -101.6 6.04 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 32.89 50.7 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 7.6 pt -141.62 165.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.27 142.46 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' HB ' HG23 ' A' ' 48' ' ' ILE . 9.1 m -110.07 149.2 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 m -144.59 133.71 22.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.92 176.63 15.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.23 170.92 35.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -72.34 -12.69 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.85 -27.64 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -133.61 66.26 73.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.58 ' HB3' HG22 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 80.95 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -37.18 -54.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.847 ' CE2' HG21 ' A' ' 49' ' ' VAL . 1.6 m-85 -32.75 117.26 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -55.81 -28.24 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -70.35 -26.71 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.71 20.9 8.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 14.1 tt0 -77.1 125.75 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 39' ' ' PRO . 33.8 p -101.96 50.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -119.54 132.96 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.831 HG12 ' HB2' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -65.38 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.85 152.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.439 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.0 mm -84.53 106.88 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.438 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.5 t -96.86 17.53 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.7 m-20 -162.14 121.89 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 59' ' ' ALA . 45.4 t -134.45 94.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.986 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.76 106.75 0.28 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.8 Cg_endo -69.73 0.16 6.02 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.55 9.62 3.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.986 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -110.58 -156.89 15.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.86 19.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.61 -45.33 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -46.18 89.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.49 -52.91 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.863 ' CD1' HD23 ' A' ' 20' ' ' LEU . 84.3 mt -63.89 -51.1 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 20' ' ' LEU . 18.5 mt -119.92 174.99 6.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -141.87 169.14 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.16 145.59 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 66.02 37.88 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.504 ' OD2' HG11 ' A' ' 100' ' ' VAL . 31.5 p-10 -91.91 91.07 7.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -45.18 100.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 48' ' ' ILE . 12.7 t -76.17 126.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.61 -47.47 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ttm -137.75 148.54 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 98' ' ' ILE . 68.1 t -141.98 109.92 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 59.76 27.6 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 26.9 24.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -132.98 130.05 21.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.549 0.69 . . . . 0.0 111.159 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 127.98 15.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.404 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.3 mmt -106.29 22.38 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -96.26 124.57 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.9 41.07 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.2 m -114.94 171.32 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.8 147.01 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.423 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.7 t-80 -49.62 -41.68 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -69.28 -29.0 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.424 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.4 t80 -69.82 -44.66 69.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 48' ' ' ILE . . . -62.73 -47.94 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 82' ' ' HIS . 4.6 p -64.7 -42.92 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' VAL . 2.5 tp60 -38.72 -58.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -46.63 -40.38 12.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.24 -54.57 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -65.98 -15.84 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -85.13 -31.0 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -63.62 133.68 54.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.84 -87.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -114.6 -48.01 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 21.0 mm -101.88 128.85 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.08 143.51 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.0 121.42 44.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 72' ' ' VAL . 40.6 mt -127.49 126.76 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.76 98.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.535 HG21 ' NH2' ' A' ' 102' ' ' ARG . 29.5 m -99.06 174.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -139.35 133.39 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.535 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.8 mtt-85 -122.72 138.68 29.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.74 122.22 8.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.451 ' NE ' ' HG3' ' A' ' 14' ' ' GLU . 7.8 ttm180 -109.53 73.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.2 mttm -34.15 141.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 106' ' ' VAL . 7.5 p -81.34 69.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.14 161.81 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.18 132.79 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . . . -101.47 113.21 65.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 109' ' ' ALA . 53.7 Cg_endo -69.81 -174.74 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.275 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.22 132.57 46.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -110.51 -176.5 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.58 127.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -168.32 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.4 t -104.64 118.54 36.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -83.34 59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -42.68 104.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -147.04 138.05 23.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.91 63.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -116.83 108.65 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -55.07 126.51 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.94 -76.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -144.67 158.67 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 54.68 42.48 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 106' ' ' VAL . 6.9 mm-40 -126.84 178.56 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.844 HG23 ' CA ' ' A' ' 105' ' ' LYS . 6.4 p -149.57 135.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -109.77 105.93 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 103' ' ' PRO . 63.0 m95 -78.94 106.17 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.99 134.83 35.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -93.37 140.06 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.23 112.19 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -101.42 101.74 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.36 153.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.13 128.74 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.867 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.7 mt -109.61 154.04 23.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 66.7 mt-30 -107.67 137.6 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.595 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -72.09 92.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 15.6 t0 -56.21 -175.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -66.29 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -14.01 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' ' C ' ' A' ' 27' ' ' GLY . 27.4 mmt180 -121.85 64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . -26.89 -93.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 18.1 m-85 -95.28 10.92 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.8 59.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.641 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -147.57 158.81 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.749 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -143.42 128.45 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 82' ' ' HIS . 18.3 m -96.95 144.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -134.14 141.14 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.75 -158.91 14.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.15 144.44 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -45.11 -34.98 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.94 -14.29 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -133.25 60.69 50.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 79.91 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.8 t-80 -45.86 -41.59 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -31.41 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.5 tt0 -31.98 -45.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.01 -66.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.84 71.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -123.76 114.35 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -81.6 54.0 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 m -132.67 121.94 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG13 ' HB2' ' A' ' 85' ' ' ALA . 43.5 mm -58.53 120.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.43 150.04 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.641 HD12 ' HB ' ' A' ' 30' ' ' ILE . 21.0 mm -82.98 105.33 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.454 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 1.3 t -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.3 m-20 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.5 t -130.84 94.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.029 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.0 tp -32.31 109.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.74 21.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.03 31.42 2.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 1.029 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -129.96 -158.99 9.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -31.73 19.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -66.88 -43.89 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -48.75 92.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.56 -51.6 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.867 ' CD1' HD23 ' A' ' 20' ' ' LEU . 62.7 mt -69.02 -49.82 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 20' ' ' LEU . 28.9 mt -119.05 170.65 8.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -141.66 169.61 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 138.6 54.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.4 m120 73.88 31.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ARG . 49.7 p-10 -83.67 78.81 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -34.89 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.8 t -75.78 130.93 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -109.72 -51.58 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.37 152.83 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -142.27 104.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 60.61 29.1 18.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.81 23.5 30.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.407 HG21 ' NE2' ' A' ' 88' ' ' GLN . 28.0 m -127.08 126.94 24.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.04 11.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -106.48 14.8 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.11 123.98 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 63.32 46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.41 168.18 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.71 144.71 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.538 ' CD2' HG23 ' A' ' 32' ' ' VAL . 1.8 t-80 -44.88 -48.26 11.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.0 p -55.96 -42.8 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.43 -38.06 85.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -66.63 -56.07 12.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.2 p -60.71 -35.42 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.7 -58.26 2.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.407 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.6 mm-40 -50.55 -40.94 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.84 -53.55 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 6.9 ptm180 -63.12 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -70.07 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -51.86 130.98 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.54 -80.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -122.89 -37.72 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 40.2 mm -113.94 141.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -136.98 134.68 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.68 122.16 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.7 mt -118.71 141.5 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.75 98.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -98.99 -176.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -153.18 122.7 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -113.09 123.82 32.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 118.4 5.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 3.5 ttm180 -93.21 43.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.844 ' CA ' HG23 ' A' ' 11' ' ' VAL . 16.9 ttpt -36.17 145.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 10' ' ' GLU . 1.4 p -97.94 112.14 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -133.04 153.07 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.54 142.88 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -164.75 148.24 7.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.529 0.68 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 160.38 49.93 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 pp -100.88 146.47 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -118.91 154.77 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 114' ' ' PRO . . . 176.97 116.26 0.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.406 ' HD2' ' HA2' ' A' ' 113' ' ' GLY . 53.1 Cg_endo -69.77 161.73 44.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.755 2.303 . . . . 0.0 112.313 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.4 p -137.21 151.57 48.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLY . 1.9 t -136.24 158.96 43.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -131.44 132.06 44.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.374 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -153.29 155.31 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.93 104.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -163.71 172.55 14.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -139.43 154.29 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.2 -97.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -151.9 163.17 39.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -40.16 146.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.82 177.04 5.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.533 HG11 ' NE1' ' A' ' 13' ' ' TRP . 2.2 t -135.57 127.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 mt -111.78 99.21 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 80.0 m95 -78.06 101.95 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -96.01 144.66 26.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.29 148.72 21.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -134.71 107.92 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -88.14 98.97 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.27 146.67 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -103.09 129.57 49.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 62' ' ' LEU . 4.0 mt -108.11 143.83 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG2' HD12 ' A' ' 95' ' ' ILE . 78.7 mt-30 -109.26 125.19 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -55.71 101.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.53 -177.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 m -41.48 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -111.98 -57.08 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -41.01 -46.37 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.21 -129.69 9.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.57 -4.77 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.42 55.22 6.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 20.1 pt -149.11 162.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.8 146.68 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.664 ' HB ' HG23 ' A' ' 48' ' ' ILE . 18.7 m -115.42 152.12 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.58 145.16 28.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.556 ' O ' HD13 ' A' ' 48' ' ' ILE . . . 83.59 106.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' CD1' ' A' ' 48' ' ' ILE . . . -111.34 -156.77 14.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -89.43 -8.61 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.5 m-20 -121.75 -28.19 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -127.55 57.21 23.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.86 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 1.3 t-80 -49.57 -35.33 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' GLU . 2.0 t80 -33.93 109.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.3 pp20? -33.1 -54.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.67 -74.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.92 32.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' OE1' ' NE ' ' A' ' 68' ' ' ARG . 8.8 tt0 -77.47 113.2 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -91.61 47.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.523 ' CB ' ' HD2' ' A' ' 68' ' ' ARG . 18.1 m -123.17 99.21 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.664 HG23 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mm -34.02 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.64 145.64 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.3 mm -81.49 106.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -100.18 17.85 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.837 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 5.5 m-20 -157.08 115.85 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.8 t -131.3 93.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.766 HD23 ' CA ' ' A' ' 57' ' ' GLY . 4.0 tp -33.5 122.09 0.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.8 24.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.98 23.08 2.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.766 ' CA ' HD23 ' A' ' 54' ' ' LEU . . . -107.56 -164.47 21.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.02 21.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.317 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -88.16 6.46 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 2.2 p-10 -80.04 42.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.87 -28.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 20' ' ' LEU . 69.4 mt -80.73 -46.09 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.55 171.74 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.421 ' CD ' ' HD3' ' A' ' 102' ' ' ARG . 7.3 pt20 -134.76 169.15 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.37 149.01 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 62.63 31.19 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.822 ' OD2' HG21 ' A' ' 100' ' ' VAL . 7.6 t0 -91.0 116.58 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 mmt85 -65.95 109.85 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.4 t -77.44 127.59 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.91 -55.09 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttm -132.26 154.49 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' MET . 77.0 t -145.38 105.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 61.42 25.39 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 26.62 16.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.602 HG21 ' NE2' ' A' ' 88' ' ' GLN . 91.5 m -129.11 128.81 23.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.602 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.3 mmt -100.33 11.37 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -87.88 121.77 30.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 t0 67.01 44.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.59 171.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 37' ' ' ASP . 44.5 mt -83.57 139.75 32.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -45.4 -32.82 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 m -73.98 -37.07 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.58 -40.65 89.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -60.07 -50.71 72.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' GLN . 2.6 p -62.36 -42.04 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER -35.91 -63.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.602 ' NE2' HG21 ' A' ' 75' ' ' THR . 93.0 mm-40 -37.47 -39.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.69 -56.03 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 2.5 ptm180 -60.92 -40.4 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -58.9 -61.81 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 1.9 t -37.89 138.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.09 -74.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -132.91 -35.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' HG2' ' A' ' 21' ' ' GLN . 35.7 mm -111.85 134.14 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.44 145.59 51.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.91 92.64 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.2 mt -93.64 134.74 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.35 98.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.822 HG21 ' OD2' ' A' ' 67' ' ' ASP . 27.8 m -100.73 176.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 68' ' ' ARG . 35.7 pttt -139.46 120.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.421 ' HD3' ' CD ' ' A' ' 64' ' ' GLN . 18.0 mtt180 -110.83 134.84 20.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.8 137.1 34.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -114.62 64.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -40.45 148.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.5 t -89.26 128.53 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -169.77 174.68 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -93.99 145.09 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 129.65 34.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.98 67.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 111' ' ' LEU . 4.2 pp -49.76 158.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.9 t -140.46 121.68 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.03 39.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.34 19.15 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.34 154.68 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -104.93 151.05 24.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -104.08 178.2 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -156.48 175.31 14.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.4 119.3 3.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 36.7 m -107.46 -41.15 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.846 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 49.6 m -34.52 150.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.6 154.4 10.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptm -175.02 137.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -149.11 171.76 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -104.58 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 105' ' ' LYS . 11.9 p -148.76 147.3 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.2 mt -107.99 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -79.15 104.88 10.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.8 149.88 21.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 7.7 mt-30 -93.84 158.75 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 16.2 m-85 -140.47 107.61 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -96.83 99.94 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.43 160.93 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.9 133.19 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.83 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.3 mt -111.26 143.04 42.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 68.7 mt-30 -101.37 134.34 44.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -65.58 91.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.73 -179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -39.01 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLY . 38.7 mmtt -111.87 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' LYS . 41.1 mmt-85 -34.24 -35.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 78.95 -117.65 4.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 30' ' ' ILE . 35.2 m-85 -81.73 10.06 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.94 45.78 1.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.1 pt -144.49 150.24 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.04 135.61 36.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.575 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.8 m -96.44 157.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 p -143.8 165.62 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.21 -153.72 36.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.85 165.57 13.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.96 -26.51 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -106.93 -19.68 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -132.71 57.73 30.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 79.54 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -89.17 74.41 8.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -134.88 25.74 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 39.87 24.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' PHE . 9.3 t30 -134.95 -45.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.3 28.94 3.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 127.75 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 p -97.64 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 162.25 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.776 HG13 ' HB2' ' A' ' 85' ' ' ALA . 33.0 mm -99.52 118.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.461 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 1.5 m -117.93 168.29 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.9 mm -92.75 106.69 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -97.58 15.49 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.2 t70 -160.96 122.55 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' LEU . 87.3 t -132.27 93.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.004 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.7 tp -35.26 109.85 0.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.6 26.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.13 31.27 2.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 1.004 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -130.46 -155.09 8.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.6 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.85 -52.4 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -38.5 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.26 -49.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.83 ' CD1' HD23 ' A' ' 20' ' ' LEU . 15.3 mt -69.65 -52.39 26.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 20' ' ' LEU . 25.6 mt -116.74 169.82 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.429 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 5.2 pt20 -140.04 161.34 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 2.4 tt0 -66.22 138.67 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.444 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 2.1 m120 74.98 38.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 100' ' ' VAL . 26.3 m-20 -98.1 93.16 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -41.8 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.654 HG12 ' HG3' ' A' ' 77' ' ' MET . 43.0 t -68.46 106.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -82.67 -62.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.507 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 14.9 ttp -127.37 150.08 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.6 t -136.79 105.21 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 61.21 29.48 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.75 29.41 18.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.436 HG21 ' NE2' ' A' ' 88' ' ' GLN . 41.9 m -131.66 127.3 21.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.654 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.9 mmt -99.91 15.42 27.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.65 120.16 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.1 43.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 16.6 m -119.24 175.0 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' PHE . 93.4 mt -91.15 144.52 25.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -42.91 -45.58 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.5 p -64.6 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.521 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 86.9 t80 -64.43 -40.17 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.776 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.52 -50.75 66.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.96 -36.67 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.99 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.436 ' NE2' HG21 ' A' ' 75' ' ' THR . 79.2 mm-40 -52.17 -38.99 59.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.19 -55.18 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.2 ptm85 -60.88 -33.78 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.86 -50.75 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -46.06 134.83 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.17 -85.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -122.94 -37.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 39.9 mm -107.35 137.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.26 147.34 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.13 136.15 50.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.457 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -130.11 136.98 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.35 99.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 69' ' ' VAL . 31.2 m -109.39 160.86 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -125.27 119.37 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -106.21 139.71 20.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.15 4.91 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' LYS . 11.3 ttt85 -109.69 74.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HA ' HG23 ' A' ' 11' ' ' VAL . 21.2 mttm -34.45 136.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.511 HG12 HG13 ' A' ' 108' ' ' VAL . 24.0 t -57.69 142.25 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -101.33 85.32 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.511 HG13 HG12 ' A' ' 106' ' ' VAL . 13.9 m -126.87 162.98 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' VAL . . . -34.3 142.87 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.74 20.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.44 98.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 t -66.25 85.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -177.79 -148.7 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' SER . 53.6 Cg_endo -69.74 1.63 4.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' PRO . 42.7 t -36.98 140.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -89.16 111.56 22.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -87.31 115.53 24.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -137.2 124.56 21.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -52.84 0.11 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -133.44 134.08 43.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.809 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 p -127.22 148.77 50.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.14 56.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.32 165.71 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.31 162.38 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -140.06 -176.01 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 105' ' ' LYS . 13.0 p -155.27 141.03 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.406 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 16.6 mt -101.65 103.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 59.3 m95 -78.71 104.44 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.03 141.7 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.86 136.52 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.88 108.8 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 m -96.54 98.0 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -118.75 156.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.77 124.93 51.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 62' ' ' LEU . 7.0 mt -99.49 147.85 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 95' ' ' ILE . 62.4 mt-30 -112.43 128.14 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -58.59 115.71 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' SER . 5.2 t70 -84.24 -178.55 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 62.2 m -38.59 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -112.21 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 54' ' ' LEU . 32.7 mmt180 -44.76 -42.72 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 -90.23 1.36 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -108.08 4.83 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.29 51.19 2.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 50' ' ' ILE . 6.5 pt -143.39 148.22 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.842 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -136.51 125.72 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 29.5 m -99.5 154.74 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -144.53 141.32 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.68 -146.41 17.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.51 131.56 3.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -48.11 -19.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -110.13 -22.9 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 18.5 t30 -131.03 60.43 53.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 80.48 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.7 t-80 -48.93 -37.67 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -35.2 99.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.5 pt-20 -31.41 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 25.2 t-20 -62.41 -60.03 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.05 30.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.74 126.01 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -86.07 48.23 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.3 m -115.67 143.06 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.48 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 14.1 mm -84.9 111.78 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -117.37 157.2 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.2 mm -86.56 105.79 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.1 t -95.65 16.98 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.842 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m-20 -163.43 120.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -128.58 93.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -34.22 116.61 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.31 20.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -108.97 -165.28 20.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.668 ' O ' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.79 -24.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 53' ' ' VAL . . . -95.34 8.92 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.7 p-10 -82.45 42.91 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.15 -32.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 58' ' ' PRO . 13.6 mt -77.97 -36.84 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.62 161.62 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 10.1 pt20 -131.86 166.15 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.0 tt0 -58.75 144.84 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 70.94 30.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.597 ' HB3' HG11 ' A' ' 100' ' ' VAL . 9.8 m-20 -79.12 70.49 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.51 ' NH2' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -32.19 94.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HG3' ' A' ' 77' ' ' MET . 38.5 t -67.65 121.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -101.88 -54.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 ttm -133.08 148.38 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 ' HG3' ' A' ' 77' ' ' MET . 74.3 t -138.36 104.92 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 60.45 28.9 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.55 24.78 27.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.433 HG21 ' NE2' ' A' ' 88' ' ' GLN . 25.6 m -127.15 126.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.7 mmt -98.82 13.39 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -92.96 122.49 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t0 67.34 42.18 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -121.12 166.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.2 146.52 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.3 t60 -49.87 -45.29 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -71.14 -37.44 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -67.11 -49.38 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.3 p -66.04 -36.09 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.0 tp60 -43.58 -57.71 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' NE2' HG21 ' A' ' 75' ' ' THR . 76.1 mm-40 -50.73 -37.34 41.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 mt -68.15 -49.49 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.9 ptp180 -69.99 -19.31 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -81.21 -45.53 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -47.66 138.43 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.29 -73.02 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -133.78 -44.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 21' ' ' GLN . 27.0 mm -108.22 129.64 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.24 151.26 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.74 110.58 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.14 139.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.66 98.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 67' ' ' ASP . 6.0 m -106.87 165.22 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -107.25 135.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' HG23 ' A' ' 11' ' ' VAL . 7.2 ttt85 -99.86 82.41 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 11' ' ' VAL . 16.6 mttm -51.24 135.01 26.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.6 t -66.6 75.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -151.52 165.03 35.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.92 154.97 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.68 147.08 54.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 156.47 63.06 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 111' ' ' LEU . 4.2 pp -76.45 173.82 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.5 t -147.35 168.24 22.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -122.98 -176.13 14.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 118.06 5.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.6 p -122.61 142.96 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.7 t -140.35 156.21 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -111.89 148.26 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -58.94 146.3 38.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.14 151.19 27.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -129.65 -53.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -92.91 110.52 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.32 38.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 mtm -71.7 163.94 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.727 0.298 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 54.3 34.53 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.0 -178.8 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG12 ' CD1' ' A' ' 13' ' ' TRP . 2.4 t -151.76 137.28 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mt -114.19 98.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 77.5 m95 -78.57 101.96 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 10.5 mt-10 -95.24 142.02 28.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.67 134.23 35.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.16 123.07 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.6 m -105.61 97.7 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.5 m -123.84 152.49 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.64 132.73 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.853 HD23 HD12 ' A' ' 62' ' ' LEU . 4.7 mt -107.25 147.31 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 55.5 mt-30 -105.49 131.77 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -66.01 86.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.486 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 2.8 t70 -55.5 164.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.6 p -35.63 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -29.93 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.641 ' O ' ' C ' ' A' ' 27' ' ' GLY . 33.3 mmt180 -90.36 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -12.92 -95.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.02 4.01 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 36.37 58.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.2 pt -147.45 153.62 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -134.74 121.55 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 HD13 ' A' ' 50' ' ' ILE . 34.6 m -98.28 155.35 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -146.48 148.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -151.28 19.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.24 125.92 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 11.6 ptm180 -55.2 -17.1 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 -27.89 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -132.6 64.78 72.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.0 t-80 -50.13 -43.39 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.2 t80 -30.87 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.4 tt0 -31.21 -57.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.04 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.69 73.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' THR . 22.5 tt0 -134.99 83.31 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 36' ' ' ARG . 72.3 p -32.93 -41.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -38.99 130.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.27 140.84 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.15 140.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 30' ' ' ILE . 25.2 mm -78.34 97.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -87.67 20.23 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 31.4 t0 -164.19 122.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG13 ' HB1' ' A' ' 59' ' ' ALA . 72.0 t -134.43 93.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.549 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.6 tp -38.37 114.77 0.81 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.19 34.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.22 16.95 8.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -114.47 -163.02 14.38 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.04 24.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -71.2 -31.9 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.48 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.64 -53.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 20' ' ' LEU . 94.5 mt -63.43 -44.48 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.524 HD22 ' OD2' ' A' ' 67' ' ' ASP . 87.4 mt -130.27 169.84 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 3.1 pt20 -135.95 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 3.5 tt0 -66.34 146.82 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.66 40.81 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.547 ' OD2' HG21 ' A' ' 100' ' ' VAL . 2.4 m-20 -80.53 91.27 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG12 ' HG3' ' A' ' 77' ' ' MET . 36.2 t -62.38 122.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.07 -50.47 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttm -136.5 150.68 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.521 HG22 HG23 ' A' ' 98' ' ' ILE . 47.8 t -137.54 108.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 53.05 32.48 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.74 25.57 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 m -127.23 128.75 24.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.76 10.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.642 ' HG3' HG12 ' A' ' 69' ' ' VAL . 9.8 mmt -104.84 11.38 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.88 122.91 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.1 44.81 4.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.4 m -122.0 162.42 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.11 148.11 46.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.87 -27.41 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 t -77.38 -35.93 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.25 -44.54 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.33 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 89' ' ' LEU . 5.4 p -68.28 -43.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 86' ' ' VAL . 12.6 tt0 -40.06 -51.09 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.2 -33.12 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' VAL . 43.6 mt -70.6 -47.84 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.5 ptm85 -67.86 -15.32 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -85.01 -38.2 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -53.39 123.38 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.18 -76.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -131.49 -36.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.6 mm -111.6 132.17 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.24 140.71 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.1 110.2 21.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.521 HG23 HG22 ' A' ' 72' ' ' VAL . 54.9 mt -113.88 134.17 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.46 99.9 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.547 HG21 ' OD2' ' A' ' 67' ' ' ASP . 18.8 m -107.68 165.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 24.6 pttt -132.04 123.16 26.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.435 HH11 ' CG ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -103.32 127.3 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.827 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 115.72 4.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -99.43 86.25 3.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.7 160.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.2 129.4 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -147.52 -179.02 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.29 133.02 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.64 153.09 8.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.595 0.712 . . . . 0.0 111.063 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.98 58.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 112' ' ' SER . 6.2 tt -60.5 139.06 57.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.792 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.7 t -162.44 126.09 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.96 -102.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.35 30.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -161.7 158.08 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.1 p 46.32 45.24 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -88.86 143.06 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.398 . . . . 0.0 110.793 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 66.71 42.27 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.1 150.68 8.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.72 135.46 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m 48.81 43.03 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.57 77.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -114.23 170.06 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.704 0.288 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 10' ' ' GLU . 38.7 tt0 -175.03 156.67 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' HG12 ' A' ' 106' ' ' VAL . 5.7 mm-40 -146.56 179.28 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 105' ' ' LYS . 14.4 p -142.31 146.75 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt -104.76 101.66 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -78.93 102.87 8.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.98 139.71 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.58 130.1 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-85 -117.67 109.92 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.2 m -101.14 98.54 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.621 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.7 m -114.7 148.55 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.31 129.99 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 62' ' ' LEU . 6.8 mt -110.66 147.52 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.11 151.09 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -81.49 93.45 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -56.67 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -44.32 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' ARG . 38.6 mmtt -112.25 -57.68 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' LYS . 29.9 mmt-85 -32.69 -39.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 83.98 -100.76 2.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' ILE . 42.1 m-85 -106.46 10.6 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.06 50.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.5 pt -147.6 142.94 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.763 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . . . -134.24 133.38 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 18.9 m -97.4 154.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.2 p -132.57 172.53 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.45 -165.25 54.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.57 143.97 3.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -51.78 -34.45 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.06 -27.6 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -134.96 69.47 70.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.0 t-80 -43.07 -48.67 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -31.11 100.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 43' ' ' ASN . 8.1 pt-20 -35.09 -41.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 24.0 t30 -60.76 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.69 109.61 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.0 p -76.09 47.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.4 m -118.22 129.21 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.479 HG13 ' HB2' ' A' ' 85' ' ' ALA . 39.6 mm -70.28 113.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.25 157.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.1 105.34 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 t -99.49 24.27 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.763 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 18.2 t0 -164.4 121.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.3 t -134.91 93.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.96 106.83 0.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.75 4.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -145.68 19.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.76 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.64 -156.57 10.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -37.07 9.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -61.1 -50.67 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.17 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 120.76 -49.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.855 ' CD1' HD23 ' A' ' 20' ' ' LEU . 78.0 mt -69.55 -49.42 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.793 HD12 HD11 ' A' ' 20' ' ' LEU . 32.8 mt -118.08 169.57 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -139.68 158.53 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.77 150.53 41.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.77 35.57 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.5 m-20 -91.62 84.97 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -37.4 100.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.705 HG12 ' HG3' ' A' ' 77' ' ' MET . 39.4 t -73.5 112.85 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -90.95 -55.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' HA2' ' A' ' 74' ' ' GLY . 11.1 ttm -133.79 147.76 51.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.589 HG23 ' HG3' ' A' ' 77' ' ' MET . 65.6 t -135.26 101.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 8.6 m-20 60.11 37.41 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' SD ' ' A' ' 71' ' ' MET . . . 84.44 21.12 57.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.543 HG21 ' CD ' ' A' ' 88' ' ' GLN . 91.1 m -123.18 126.24 25.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.625 2.217 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.705 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.2 mmt -106.8 19.47 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 5.1 pt-20 -97.39 113.23 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 72.65 44.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -118.3 169.34 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.06 150.46 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -50.54 -40.25 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 t -68.09 -33.27 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.17 -49.0 76.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -53.43 -50.22 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -69.52 -41.97 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' A' ' 91' ' ' LYS . 4.7 tt0 -39.53 -45.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.543 ' CD ' HG21 ' A' ' 75' ' ' THR . 85.7 mm-40 -64.28 -38.28 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' VAL . 77.5 mt -65.88 -53.43 39.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -62.97 -20.93 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 16.9 mtpt -77.36 -28.88 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -63.57 153.87 34.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.55 -66.22 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -132.03 -41.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.8 145.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.72 140.57 31.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASN . . . -108.8 123.41 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.42 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -122.86 133.06 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.24 98.99 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 69' ' ' VAL . 25.5 m -105.68 168.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -133.45 123.32 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -107.15 133.87 20.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -105.96 77.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.473 ' N ' HG23 ' A' ' 11' ' ' VAL . 36.4 mtmt -38.64 137.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 10' ' ' GLU . 4.0 p -79.46 125.69 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -154.96 170.1 22.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.1 m -45.44 129.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 114.53 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.558 0.694 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.03 51.2 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.71 93.46 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.6 p -94.76 157.95 15.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.42 174.96 40.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.1 m -82.79 -46.13 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 70.3 m -57.82 138.64 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 75.2 m95 -81.81 109.12 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.34 139.76 34.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -94.1 153.12 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -138.39 111.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -98.36 99.92 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -117.32 149.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.465 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -106.61 129.91 54.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.795 HD23 HD12 ' A' ' 62' ' ' LEU . 3.7 mt -108.3 150.03 27.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 47.5 mt-30 -107.46 128.51 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -62.38 96.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.6 t70 -62.9 -174.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -42.09 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -112.41 -50.02 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -52.22 -20.17 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.462 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 55.1 -110.67 1.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -80.65 4.81 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.24 2.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.608 ' HB ' HD12 ' A' ' 50' ' ' ILE . 7.6 pt -149.86 158.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -140.79 142.64 34.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.31 143.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -136.96 141.88 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.99 -149.29 18.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.18 161.25 9.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -71.7 -9.02 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -122.97 -18.79 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.73 60.05 39.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 81.89 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.9 t-80 -45.26 -38.7 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.3 t80 -33.66 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.7 tt0 -33.68 -47.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -65.23 -55.98 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.71 81.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -131.79 106.92 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -76.28 48.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.3 m -129.62 117.32 20.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.555 HG13 ' HB2' ' A' ' 85' ' ' ALA . 25.0 mm -50.58 128.12 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.04 142.79 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.608 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.4 mm -76.2 105.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -92.17 14.12 17.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 5.0 t70 -162.79 130.08 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 54' ' ' LEU . 42.6 t -134.83 96.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.894 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -34.05 106.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.71 -7.71 21.74 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.17 19.1 4.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.894 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -119.49 -157.97 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.63 16.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -64.5 -44.68 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -44.46 91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 124.24 -51.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 HD23 ' A' ' 20' ' ' LEU . 82.2 mt -66.05 -50.26 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 20' ' ' LEU . 70.6 mt -121.43 169.96 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -139.76 170.32 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.8 tt0 -71.68 140.65 49.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 0.9 OUTLIER 74.17 31.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.568 ' HB2' HG21 ' A' ' 100' ' ' VAL . 41.4 p-10 -86.34 82.96 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -37.7 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.9 t -68.94 129.77 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.24 -51.51 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ttm -135.39 154.75 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -146.42 105.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 61.09 25.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 29.96 10.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.7 m -134.43 126.43 18.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.99 6.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.3 mmt -97.36 15.9 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.48 124.33 33.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 60.83 42.05 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -117.21 162.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.89 141.85 44.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.2 t60 -45.57 -41.99 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -64.82 -36.32 83.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -64.36 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.555 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.75 -50.36 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.43 -40.98 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.8 tp60 -38.45 -58.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -49.74 -39.11 36.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.68 -50.6 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.1 ptm85 -67.5 -26.96 66.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -74.93 -39.07 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLY . 3.1 t -59.1 117.06 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.75 -81.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -132.85 -31.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 24.9 mm -111.55 127.08 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.22 152.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.16 115.32 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 50.6 mt -114.73 138.19 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.97 99.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 67' ' ' ASP . 5.2 m -105.86 159.88 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -123.95 138.9 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -121.48 138.66 28.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.779 0.323 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 60.2 m95 -78.83 106.8 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -98.13 148.25 23.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -94.02 131.42 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.68 111.63 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -99.42 98.14 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -119.73 144.49 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.632 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -97.78 132.84 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.772 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.4 mt -111.92 155.03 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 72.8 mt-30 -111.15 136.32 50.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -69.41 87.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.71 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -40.2 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' GLY . 36.2 mmtt -111.72 -57.26 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -42.64 -24.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 25' ' ' LYS . . . 67.73 -123.93 20.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -72.34 1.42 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 45.84 58.11 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.54 HG23 ' HB2' ' A' ' 59' ' ' ALA . 2.2 pt -155.17 144.18 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.839 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -129.65 132.91 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 48' ' ' ILE . 25.0 m -106.17 139.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -125.77 156.55 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 -154.18 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.96 149.68 5.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 36' ' ' ARG . 3.3 ppt_? -63.72 -9.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -116.36 -28.05 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -134.38 65.7 68.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 83.13 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -34.0 -51.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.3 m-85 -32.68 109.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.1 -32.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -68.12 -49.12 63.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.44 52.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -99.87 115.36 29.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.9 p -85.11 42.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.1 m -121.04 132.51 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.611 HG13 ' HB2' ' A' ' 85' ' ' ALA . 40.2 mm -67.01 124.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.84 148.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.472 HD12 ' HB ' ' A' ' 30' ' ' ILE . 8.5 mm -85.54 105.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -97.5 14.41 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.839 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.8 m-20 -159.07 119.4 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -129.57 93.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.493 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -35.3 105.72 0.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.76 1.0 4.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' H ' ' CD2' ' A' ' 54' ' ' LEU . . . -135.14 13.3 4.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -116.51 -156.09 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.6 6.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -58.72 -44.33 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -45.68 90.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.4 -50.68 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.772 ' CD1' HD23 ' A' ' 20' ' ' LEU . 97.6 mt -65.45 -51.4 60.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 20' ' ' LEU . 25.8 mt -117.99 169.54 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.63 173.7 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.64 150.28 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 62.31 25.03 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG21 ' A' ' 100' ' ' VAL . 5.8 m-20 -82.91 80.59 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 110.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 100' ' ' VAL . 12.5 t -77.88 136.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.59 -40.36 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ttm -144.81 150.95 38.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.1 t -142.65 105.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.89 27.66 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.16 23.43 27.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -128.55 126.76 23.53 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.635 0.731 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 124.17 10.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.0 mmt -102.77 22.4 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -96.35 121.4 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.15 44.17 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -117.73 171.46 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.5 mt -80.16 144.47 32.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 4.0 t60 -50.12 -39.01 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.3 m -70.67 -31.56 68.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.77 -46.41 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.611 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -57.94 -49.85 75.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -64.88 -41.84 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 4.7 tp60 -38.33 -58.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -49.18 -36.23 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' VAL . 39.1 mt -64.51 -54.83 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.7 ptm85 -62.1 -29.54 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.38 -49.48 48.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -50.39 123.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.31 -84.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -128.06 -28.87 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 37.0 mm -113.92 131.16 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.07 48.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.1 100.0 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 72' ' ' VAL . 70.3 mt -101.47 135.88 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.67 99.32 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 69' ' ' VAL . 10.4 m -104.33 170.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -129.94 119.65 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -106.67 139.66 20.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.772 0.32 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -79.57 106.12 11.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.77 136.88 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -93.88 155.04 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -142.31 108.99 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -91.19 101.77 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -124.05 144.3 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -109.55 133.51 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.857 HD23 ' CD1' ' A' ' 62' ' ' LEU . 1.3 mt -106.76 160.07 15.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 39.3 mt-30 -113.51 125.27 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -58.04 87.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.47 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -43.17 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -112.68 -50.37 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 -48.69 -19.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.68 -107.94 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' ILE . 20.2 m-85 -87.61 4.38 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.55 60.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 59' ' ' ALA . 3.4 pt -152.01 153.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -140.09 120.3 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 48' ' ' ILE . 26.6 m -93.96 158.61 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -136.11 176.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.413 ' C ' ' HA ' ' A' ' 39' ' ' PRO . . . 99.16 -144.78 17.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.94 138.73 4.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -63.63 -33.96 76.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -103.11 -26.52 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -133.35 64.24 68.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' C ' ' A' ' 34' ' ' GLY . 53.9 Cg_endo -69.69 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.328 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.2 t-80 -52.77 -40.26 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.1 t80 -33.66 105.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.7 pp20? -33.67 -49.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t-20 -58.21 -45.78 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 119.79 22.19 3.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 129.03 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -92.54 46.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.1 t -121.89 124.2 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 35.2 mm -60.65 106.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -118.4 140.04 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.3 mm -74.92 106.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.467 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 5.5 t -94.41 9.38 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -158.83 125.91 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.457 HG13 ' HB1' ' A' ' 59' ' ' ALA . 55.3 t -132.52 97.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.597 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -38.93 111.05 0.62 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.544 0.688 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.2 Cg_endo -69.8 -7.92 22.29 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.16 2.05 8.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -101.33 -161.8 27.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.97 19.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.23 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.857 ' CD1' HD23 ' A' ' 20' ' ' LEU . 94.9 mt -63.85 -50.57 68.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.424 HD12 HD11 ' A' ' 20' ' ' LEU . 89.9 mt -121.64 167.65 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.67 -179.55 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.3 tt0 -80.08 140.18 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' GLU . 1.3 m-80 74.99 25.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.605 ' OD2' HG11 ' A' ' 100' ' ' VAL . 23.7 p-10 -80.38 79.12 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HE ' ' CB ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -35.71 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.2 t -69.93 130.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -109.95 -57.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.486 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 6.2 ttp -130.41 146.5 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.553 HG23 ' HG3' ' A' ' 77' ' ' MET . 63.1 t -134.49 103.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 64.03 28.71 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.03 24.53 29.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.7 m -128.45 127.41 23.64 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG3' HG23 ' A' ' 72' ' ' VAL . 7.4 mmt -95.64 14.67 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.16 123.09 32.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t70 64.75 42.92 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.64 165.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.51 146.84 44.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 5.4 t60 -55.19 -24.39 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.1 t -84.72 -29.08 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.72 -36.46 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 17.6 tt0 -44.71 -55.23 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -54.89 -34.36 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.64 -46.44 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 6.3 ptp180 -72.12 -9.81 58.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -91.2 -48.51 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 t -46.77 119.33 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.23 -85.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -127.11 -35.88 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 21.8 mm -110.02 126.87 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 92' ' ' SER . . . -127.68 148.28 50.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 127.14 53.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.1 mt -123.06 136.39 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.52 98.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 67' ' ' ASP . 10.3 m -105.91 156.47 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -128.49 122.91 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.0 mtt-85 -104.3 131.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -79.34 104.71 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.15 142.68 27.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -93.8 130.32 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 4.3 m-85 -110.25 109.32 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -88.8 97.87 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.09 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.29 137.11 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 62' ' ' LEU . 5.3 mt -104.22 141.17 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 50.6 mt-30 -107.37 128.45 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -53.44 94.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -49.95 179.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -37.64 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ARG . 26.8 mmtt -111.69 -61.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' LYS . 37.8 mmt-85 -35.9 -44.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.76 -128.95 9.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -67.5 -4.14 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.74 56.22 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 59' ' ' ALA . 7.2 pt -151.79 157.54 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.58 139.05 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' HG23 ' A' ' 48' ' ' ILE . 17.8 m -100.75 158.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 p -139.88 147.02 40.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.23 -177.41 36.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.69 145.36 6.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' N ' ' A' ' 80' ' ' VAL . 4.3 ppt_? -47.47 -20.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.15 -20.59 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -130.76 60.6 54.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.5 t-80 -47.55 -38.81 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' HIS . 3.1 t80 -32.39 103.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -33.12 -53.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -57.78 -57.89 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.72 76.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -128.33 118.04 22.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 p -81.15 49.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.5 m -127.0 109.08 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.519 HG13 ' HB2' ' A' ' 85' ' ' ALA . 46.1 mm -48.98 127.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -130.24 153.3 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.0 mm -84.6 103.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 t -93.14 18.94 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.828 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.8 m-20 -161.13 117.5 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.628 HG13 ' HB1' ' A' ' 59' ' ' ALA . 79.4 t -127.96 93.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.915 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.8 tp -33.24 108.85 0.31 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.0 Cg_endo -69.69 0.59 5.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.51 15.45 3.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.915 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -117.36 -155.5 10.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -41.07 4.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -55.34 -50.07 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.08 89.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 136.18 -56.21 0.7 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 20' ' ' LEU . 13.7 mt -68.83 -61.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 100' ' ' VAL . 74.9 mt -108.84 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' OD1' ' A' ' 67' ' ' ASP . 3.8 pt20 -142.13 170.37 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.6 tt0 -63.47 139.73 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 73.05 44.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' HG12 ' A' ' 49' ' ' VAL . 17.1 m-20 -93.36 106.52 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.7 mpt_? -57.6 91.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 77' ' ' MET . 15.7 t -62.44 123.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.97 -60.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ttm -131.27 148.62 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 98' ' ' ILE . 97.6 t -138.28 107.1 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 57.77 34.83 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.03 30.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -134.07 127.41 19.1 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.131 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.02 10.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.9 mmt -103.53 13.17 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.64 123.74 33.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.5 45.22 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.435 ' N ' ' HB3' ' A' ' 36' ' ' ARG . 18.0 m -120.54 171.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.07 150.07 28.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -53.9 -38.32 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -71.08 -30.96 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.0 -45.68 80.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -58.26 -52.3 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' LEU . 3.6 p -65.73 -40.26 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.429 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 12.5 tt0 -41.92 -48.94 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -60.89 -32.49 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' VAL . 89.2 mt -73.54 -50.01 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 ptm180 -64.47 -12.2 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 35.6 mtpt -87.58 -39.32 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -50.76 155.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.89 -68.39 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 95' ' ' ILE . 16.9 ttpt -132.95 -33.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.545 HD13 ' O ' ' A' ' 94' ' ' LYS . 17.0 mm -118.16 135.41 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.75 137.17 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.21 121.41 42.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.683 HG23 HG22 ' A' ' 72' ' ' VAL . 20.8 mt -126.95 120.86 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.49 102.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.795 HG21 HD22 ' A' ' 63' ' ' LEU . 33.7 m -107.07 172.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -140.66 122.8 15.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -101.56 138.77 19.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.288 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.349 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -80.8 102.88 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -95.97 139.71 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -93.83 132.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 2.5 m-85 -112.52 109.89 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -96.27 98.56 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.21 154.84 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -111.04 126.98 55.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 62' ' ' LEU . 6.3 mt -105.16 146.08 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 50.6 mt-30 -104.44 136.75 43.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -72.34 90.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.3 t0 -53.91 -175.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.35 -72.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -112.28 -60.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -45.36 -21.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 56.98 -114.55 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CE2' ' CE ' ' A' ' 22' ' ' LYS . 23.4 m-85 -77.18 1.46 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.19 56.31 4.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.532 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -151.1 148.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.76 137.99 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' HG23 ' A' ' 48' ' ' ILE . 30.4 m -106.47 147.49 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -140.16 143.51 36.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.77 -157.03 15.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.9 146.9 4.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ptt85 -60.07 -12.35 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.72 -27.73 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.41 65.13 71.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 79.99 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.89 -44.47 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -34.53 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 41' ' ' PHE . 8.6 pt-20 -32.88 -43.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 18.4 t-20 -63.55 -58.16 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.45 72.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.5 tt0 -121.87 106.16 11.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 p -79.36 52.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.1 m -139.12 110.27 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.6 HG13 ' HB2' ' A' ' 85' ' ' ALA . 47.0 mm -39.3 141.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 HD12 ' HB ' ' A' ' 30' ' ' ILE . 29.7 mm -76.51 107.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -94.64 12.16 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -163.96 129.45 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.485 HG13 ' HB1' ' A' ' 59' ' ' ALA . 71.5 t -133.14 93.63 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.613 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.5 105.77 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.705 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.8 Cg_endo -69.74 4.32 2.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.499 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -140.2 14.24 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.613 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -118.21 -157.36 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.77 23.27 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -69.2 -36.52 77.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -55.53 94.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.858 HD12 HD23 ' A' ' 20' ' ' LEU . 93.9 mt -63.17 -56.87 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 20' ' ' LEU . 76.7 mt -118.58 173.08 7.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.481 ' HA ' HG21 ' A' ' 53' ' ' VAL . 34.4 mt-30 -141.56 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.59 146.21 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.452 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 19.6 m-80 71.23 29.24 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' VAL . 4.8 m-20 -84.18 86.83 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -42.11 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HA ' HG12 ' A' ' 100' ' ' VAL . 43.9 t -65.86 128.83 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -109.34 -54.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.3 ttm -132.88 150.93 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' ' 77' ' ' MET . 92.7 t -143.51 105.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 61.16 30.12 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.31 29.4 22.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -133.45 126.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 0.0 111.087 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.66 7.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.61 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.5 mmt -100.31 13.88 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.84 126.55 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 61.53 45.75 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 173.37 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.2 t60 -53.24 -37.06 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -70.36 -28.41 65.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -73.36 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.5 -48.53 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.0 p -63.9 -41.6 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.484 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.9 tp60 -40.17 -57.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -49.64 -40.09 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.4 -48.9 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.3 ptp180 -72.41 -15.36 61.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -84.31 -37.84 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -57.93 145.12 36.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.63 -77.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -126.14 -39.76 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 45.3 mm -107.58 134.93 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.73 133.3 44.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.94 120.5 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 100' ' ' VAL . 85.2 mt -120.77 140.3 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.92 99.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 69' ' ' VAL . 30.1 m -107.45 165.26 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -128.41 122.62 31.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 26.3 mtm180 -105.79 133.55 20.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 73.6 m95 -78.22 104.63 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 13.5 mt-10 -99.15 140.48 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.3 131.13 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CB ' HH21 ' A' ' 102' ' ' ARG . 90.6 m-85 -115.96 114.99 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -100.45 99.05 9.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.29 155.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.688 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -108.52 135.97 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 63' ' ' LEU . 3.7 mt -113.02 139.74 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HA ' HD13 ' A' ' 95' ' ' ILE . 55.4 mt-30 -94.98 138.38 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' ASP . 5.7 tttt -71.51 87.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 1.6 t70 -50.18 -177.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.9 p -42.43 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -112.03 -47.99 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -57.97 -11.26 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 52.83 -126.4 32.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.45 -4.82 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.19 49.72 58.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.594 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -143.71 144.71 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -131.68 136.33 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.9 m -103.3 150.5 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -140.62 153.7 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.4 -153.42 18.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 157.75 7.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -17.64 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.31 -23.78 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.46 60.69 44.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 79.95 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.6 t-80 -43.95 -40.79 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' GLU . 3.3 t80 -33.87 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 9.5 pt-20 -33.86 -44.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -60.54 -53.82 52.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.22 20.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.56 130.62 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.394 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 p -98.85 46.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -124.36 113.78 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 32' ' ' VAL . 44.7 mm -47.41 140.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -143.29 154.03 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.594 HD12 ' HB ' ' A' ' 30' ' ' ILE . 32.7 mm -80.85 109.13 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 6.8 t -99.42 16.9 21.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 15.3 m-20 -163.96 120.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' A' ' 59' ' ' ALA . 82.5 t -127.93 93.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.744 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.23 106.26 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.75 4.22 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -143.19 17.22 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.744 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.74 -152.94 9.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -53.3 -48.25 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -42.53 91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.89 -53.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 20' ' ' LEU . 38.1 mt -63.47 -56.96 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 20' ' ' LEU . 82.9 mt -119.87 167.0 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' ' NH1' ' A' ' 102' ' ' ARG . 15.0 mt-30 -132.87 178.32 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.21 149.44 38.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 64.85 30.85 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.47 92.08 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -42.01 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 100' ' ' VAL . 13.7 t -77.3 125.42 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t -106.59 -57.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 2.9 ttp -129.98 145.46 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.3 t -134.93 103.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 64.06 28.49 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.23 22.35 35.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 m -125.92 127.77 24.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.657 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.8 mmt -95.54 15.0 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.5 123.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 65.3 41.71 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.553 ' HB ' ' CD1' ' A' ' 84' ' ' PHE . 11.3 m -116.51 172.2 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.16 149.29 23.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.0 t60 -51.65 -35.12 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -77.59 -24.28 49.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.553 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 54.2 t80 -75.48 -45.18 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -62.37 -46.98 86.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.057 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.4 p -66.11 -37.92 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -58.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -46.74 -42.97 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.76 -54.68 44.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.68 -19.48 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -81.41 -37.58 27.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t -58.23 138.27 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.83 -82.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -124.62 -36.51 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' GLN . 40.5 mm -113.74 130.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.81 148.43 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.22 127.01 53.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.514 HD12 HD12 ' A' ' 20' ' ' LEU . 35.8 mt -125.54 136.24 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.78 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -108.63 162.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 41.8 pttt -127.83 124.58 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.415 HH21 ' CB ' ' A' ' 16' ' ' TYR . 39.9 mtm180 -112.74 129.39 24.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.72 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.483 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 70.8 m95 -79.09 106.39 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -94.93 145.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 m-85 -115.31 110.8 19.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.0 m -98.03 100.08 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.32 144.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.41 130.34 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.891 HD23 HD12 ' A' ' 62' ' ' LEU . 5.9 mt -108.16 139.42 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 58.5 mt-30 -97.51 128.17 44.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE3' ' CZ ' ' A' ' 28' ' ' PHE . 5.4 ttmt -59.71 85.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.06 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.5 m -38.47 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -112.76 -50.26 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . 3.0 mmp_? -47.61 -26.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 -79.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 25.0 m-85 -117.42 4.22 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.82 48.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.6 pt -136.61 150.86 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.088 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -135.1 141.11 45.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.55 143.41 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -135.43 152.49 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.66 -143.55 15.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.19 140.07 4.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -65.37 -8.48 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.75 -27.93 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -134.02 59.97 41.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 81.55 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.508 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -45.26 -41.66 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -28.72 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 41' ' ' PHE . 4.4 tp10 -31.39 -45.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -58.5 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.8 76.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 47.7 tt0 -133.56 80.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.6 p -38.75 -38.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 m -46.01 105.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 85' ' ' ALA . 22.5 mm -41.55 143.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -147.3 146.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 30' ' ' ILE . 10.0 mm -80.1 104.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -96.02 18.55 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t70 -164.19 124.59 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.7 t -133.99 93.79 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 56' ' ' GLY . 0.7 OUTLIER -37.51 106.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.8 4.72 2.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.518 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -138.73 10.64 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.481 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -111.34 -159.91 16.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.57 23.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -69.41 -41.98 75.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -45.79 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.25 -48.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.891 HD12 HD23 ' A' ' 20' ' ' LEU . 97.8 mt -66.38 -54.55 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 20' ' ' LEU . 20.6 mt -114.68 175.67 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.46 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 7.5 pt20 -142.01 170.89 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.67 147.01 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 68' ' ' ARG . 35.4 m-80 68.25 33.59 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.46 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 25.5 m-20 -88.46 99.89 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -52.76 96.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.5 t -67.73 122.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.43 -53.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttm -135.19 153.05 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.6 t -141.8 105.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.82 25.02 14.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.48 23.07 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 m -127.19 126.76 24.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.703 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.58 8.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.0 mmt -100.61 19.14 17.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.14 119.21 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 t0 66.05 42.19 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.13 173.11 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -82.69 143.81 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -50.01 -36.29 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -75.29 -26.16 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.08 -39.95 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.44 -48.54 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -64.85 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.9 tp60 -40.72 -58.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -49.03 -39.98 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.0 mt -60.12 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 15.3 ptm180 -67.22 -28.68 68.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -75.44 -28.43 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -61.2 129.05 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.28 -73.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -129.12 -44.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 32.4 mm -106.45 128.62 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.65 128.24 52.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.57 118.74 33.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 100' ' ' VAL . 66.8 mt -119.18 124.6 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -103.77 99.36 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 98' ' ' ILE . 5.0 m -106.28 168.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -133.57 135.25 44.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 32.1 mtt180 -123.13 141.52 36.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 74.7 m95 -78.47 102.51 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.64 142.24 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -93.23 147.55 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -132.31 111.06 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -98.0 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.9 m -122.64 146.22 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.48 131.15 52.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.875 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.8 mt -108.9 158.25 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 35.6 mt-30 -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.92 91.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.7 t70 -56.54 174.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.8 p -54.58 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -110.85 -18.16 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 mmp_? -112.64 61.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -25.11 -91.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 9.7 m-85 -100.87 4.95 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.08 53.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.5 pt -144.03 147.7 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -133.42 131.13 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.14 146.06 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -131.55 128.37 39.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.94 -148.47 20.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.05 116.78 1.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -47.38 -24.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.73 -27.9 9.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -134.71 68.8 72.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 81.88 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.506 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -43.52 -42.89 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -29.74 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.2 mp0 -30.95 -48.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.02 -56.75 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.0 80.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 3.1 tp10 -134.18 120.37 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -87.22 51.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -135.8 122.1 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.96 107.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -121.2 147.83 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.582 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -84.0 103.73 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.0 t -97.16 17.84 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.809 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.7 m-20 -162.59 120.97 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 54' ' ' LEU . 57.1 t -131.91 93.78 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.9 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.33 113.09 0.4 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.56 18.88 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.39 10.69 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.9 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -104.19 -164.7 24.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -26.3 27.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -71.7 -33.9 69.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -52.37 88.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.32 -48.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 20' ' ' LEU . 98.8 mt -66.8 -48.13 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' CD1' HD11 ' A' ' 20' ' ' LEU . 63.4 mt -120.41 169.83 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -136.14 177.15 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.2 tt0 -81.65 140.33 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 10.3 m-80 71.25 36.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.726 ' OD2' HG11 ' A' ' 100' ' ' VAL . 34.0 p-10 -91.32 82.85 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 1.2 mpp_? -42.17 96.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 100' ' ' VAL . 62.8 t -64.92 149.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -125.41 -44.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttm -143.12 149.37 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 77' ' ' MET . 95.7 t -142.13 106.63 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 60.75 26.78 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.73 30.55 11.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -134.7 126.08 17.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.89 8.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.475 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -99.77 18.71 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -93.77 125.67 38.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 61.34 43.67 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.28 166.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.8 146.39 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -47.97 -45.79 31.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 t -61.55 -35.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.05 -43.49 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.23 77.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.9 p -65.36 -42.57 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' VAL . 3.5 tp60 -36.63 -59.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -48.41 -38.31 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 27.0 mt -63.27 -53.44 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 10.8 ptm180 -64.73 -29.01 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.71 -34.62 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t -57.74 133.22 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.24 -69.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -133.36 -43.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.8 mm -106.78 137.79 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.48 137.33 49.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 109.84 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.9 133.59 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.67 98.97 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.726 HG11 ' OD2' ' A' ' 67' ' ' ASP . 13.9 m -104.81 165.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -129.22 132.7 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -121.99 127.73 25.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -80.52 103.11 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -94.97 135.9 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -93.7 132.22 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 1.7 m-85 -114.9 109.15 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -95.38 97.9 10.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -120.51 159.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -116.59 131.53 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 28' ' ' PHE . 3.7 mt -106.63 145.83 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 62.6 mt-30 -102.53 129.63 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 28' ' ' PHE . 5.8 ttmt -62.0 90.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 12.1 t0 -57.95 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -57.75 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -109.81 -11.61 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' O ' ' C ' ' A' ' 27' ' ' GLY . 25.9 mmt180 -114.07 51.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -16.49 -94.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.657 ' HB3' HD13 ' A' ' 20' ' ' LEU . 8.0 m-85 -96.06 8.42 43.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.32 48.25 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.627 ' HB ' HD12 ' A' ' 50' ' ' ILE . 3.2 pt -140.79 141.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -126.66 130.52 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' A' ' 48' ' ' ILE . 8.7 m -98.43 148.46 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -138.13 147.32 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.8 -162.49 13.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.55 145.16 4.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -62.2 -10.49 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -122.96 -25.49 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -131.16 60.39 52.59 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.28 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.3 t-80 -48.45 -43.44 34.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -33.25 101.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.1 pt-20 -34.5 -42.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -59.9 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 121.02 12.1 6.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.2 tp10 -72.06 117.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.1 p -85.62 49.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.8 p -119.95 125.66 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' HB ' ' A' ' 32' ' ' VAL . 26.7 mm -62.7 102.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -112.24 144.76 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.627 HD12 ' HB ' ' A' ' 30' ' ' ILE . 20.9 mm -74.41 104.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -95.75 19.74 10.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 29.3 t70 -164.37 120.04 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.8 t -135.02 93.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 9.3 tp -40.26 111.62 0.77 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.2 Cg_endo -69.8 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.3 17.85 6.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -157.76 10.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -44.29 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -56.54 -43.22 79.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -43.39 92.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.78 -50.69 0.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 18' ' ' VAL . 37.9 mt -68.27 -36.97 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 20' ' ' LEU . 80.1 mt -136.41 162.82 31.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' CG ' HH12 ' A' ' 102' ' ' ARG . 27.0 mt-30 -131.95 177.35 7.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.2 tt0 -75.34 141.39 43.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 72.03 35.41 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 6.1 m-20 -86.39 84.72 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.0 mpt_? -37.84 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG12 ' HG3' ' A' ' 77' ' ' MET . 58.8 t -68.49 124.77 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.33 -54.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.2 ttm -134.11 153.49 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 77' ' ' MET . 96.5 t -143.68 105.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 62.64 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.92 24.09 23.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.463 HG22 ' CE ' ' A' ' 77' ' ' MET . 86.1 m -126.7 130.6 23.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.73 8.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.695 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.4 mmt -103.09 17.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -93.09 126.72 38.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 59.85 46.65 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.09 170.45 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -81.13 149.57 29.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.9 t60 -55.05 -35.97 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -72.65 -25.87 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -75.42 -41.67 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.41 83.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.33 -36.84 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.4 tp-100 -42.75 -57.78 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -49.08 -39.21 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.26 -50.65 72.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.9 ptm85 -68.97 -26.24 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -71.9 -38.17 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -53.31 145.5 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.06 -73.88 0.97 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -127.85 -44.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 20.9 mm -111.12 125.64 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.82 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.89 113.54 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.43 HG22 HG13 ' A' ' 100' ' ' VAL . 66.6 mt -115.14 128.09 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.95 99.73 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.43 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -107.75 166.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -131.64 123.56 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -102.77 127.84 29.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.86 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.309 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 66.0 m95 -78.93 105.85 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -95.13 143.13 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 9.2 mt-30 -93.84 156.03 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 17.4 m-85 -141.93 110.12 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -93.88 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -124.32 147.48 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.74 131.82 53.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.879 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.1 mt -108.93 159.24 16.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mt-30 -115.8 132.0 56.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.0 89.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.0 t0 -55.0 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 m -50.31 -71.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -35.76 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' O ' ' C ' ' A' ' 27' ' ' GLY . 74.9 mmt-85 -85.55 39.28 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.662 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -2.05 -104.32 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 5.2 m-85 -84.87 1.82 45.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ARG . . . 44.24 55.49 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.825 ' HB ' HD12 ' A' ' 50' ' ' ILE . 1.1 pt -144.62 148.78 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -131.74 139.3 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 82' ' ' HIS . 14.7 m -105.74 142.88 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 143.7 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.32 -158.42 21.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.31 170.18 22.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 37' ' ' ASP . 13.3 ptm180 -63.4 -39.86 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 7.9 m-20 -98.54 -13.42 20.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.68 58.89 39.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 79.68 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -48.08 -43.24 30.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -35.89 98.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.5 pt-20 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' PHE . 7.0 m120 -63.93 -58.06 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.11 31.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.58 116.18 25.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -84.93 46.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -126.08 116.43 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.603 HG13 ' HB2' ' A' ' 85' ' ' ALA . 50.6 mm -50.16 135.88 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -138.36 149.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.825 HD12 ' HB ' ' A' ' 30' ' ' ILE . 17.8 mm -82.5 98.93 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -88.93 19.99 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t70 -162.58 122.68 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.0 t -134.98 94.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.737 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.6 tp -38.76 112.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.39 14.73 6.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.737 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -112.33 -161.08 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -34.8 13.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.01 -37.3 87.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -48.75 89.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.02 -51.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.879 ' CD1' HD23 ' A' ' 20' ' ' LEU . 51.8 mt -63.97 -49.57 72.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 20' ' ' LEU . 67.8 mt -119.56 171.57 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -138.03 167.2 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.45 134.8 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 72.62 37.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.449 ' OD2' HG11 ' A' ' 100' ' ' VAL . 43.4 p-10 -83.79 84.85 7.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 3.8 mpt_? -36.24 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 90.7 t -70.91 141.29 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.94 -54.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttm -136.47 151.55 49.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.7 t -141.87 107.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 58.85 25.78 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.97 24.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.504 HG22 ' CE ' ' A' ' 77' ' ' MET . 89.6 m -125.18 126.79 25.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.95 10.6 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.526 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.7 mmt -105.17 14.78 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.15 118.67 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 66.81 44.35 2.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.88 164.6 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.89 141.01 39.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.583 ' CE1' HG23 ' A' ' 32' ' ' VAL . 1.5 t60 -42.27 -47.5 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -56.8 -44.12 81.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.1 -35.71 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.603 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -68.5 -52.85 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.08 -38.89 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.0 tp60 -40.37 -58.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -49.47 -41.18 39.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 mt -59.53 -52.74 64.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 7.4 ptm180 -65.19 -30.62 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -71.12 -30.52 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 t -62.53 130.51 45.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.09 -83.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -124.33 -36.28 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 30.2 mm -113.09 134.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.33 151.1 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.24 107.64 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.512 HG23 HG22 ' A' ' 72' ' ' VAL . 59.4 mt -110.21 142.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 t -118.51 98.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG11 ' OD2' ' A' ' 67' ' ' ASP . 20.1 m -100.09 -177.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -147.18 130.92 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 137.66 20.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.634 2.222 . . . . 0.0 112.389 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -78.82 109.06 12.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.8 135.02 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -94.55 137.98 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -124.51 111.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -98.06 103.95 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -127.38 155.47 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.58 133.4 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.769 HD23 HD12 ' A' ' 62' ' ' LEU . 3.3 mt -110.02 149.94 29.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HA ' HD13 ' A' ' 95' ' ' ILE . 71.7 mt-30 -103.7 124.03 48.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.02 91.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.2 t70 -61.51 174.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -45.62 -64.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -111.73 -40.13 4.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' GLY . 9.2 mpt_? -85.95 49.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.602 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -15.94 -73.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' HB3' HD13 ' A' ' 20' ' ' LEU . 13.8 m-85 -113.06 10.71 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.59 57.05 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.61 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -145.68 143.67 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -125.94 124.57 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 82' ' ' HIS . 25.3 m -96.03 152.1 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -147.29 141.15 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.61 -152.88 17.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 152.73 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -64.8 -20.36 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.4 -21.28 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -133.4 57.62 27.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.711 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 89.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.0 t-80 -59.8 -40.79 89.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.9 t80 -31.15 104.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.6 tt0 -29.6 -53.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -53.74 -60.74 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.61 29.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.84 131.16 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.9 p -100.41 49.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.421 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.0 m -130.5 168.77 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.727 HG13 ' HB2' ' A' ' 85' ' ' ALA . 30.3 mm -99.77 110.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.33 150.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.61 HD12 ' HB ' ' A' ' 30' ' ' ILE . 15.1 mm -84.01 103.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -94.15 18.08 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.7 t0 -163.76 123.77 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' LEU . 65.9 t -135.02 93.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.948 HD23 ' HA3' ' A' ' 57' ' ' GLY . 6.8 tp -32.13 115.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.7 Cg_endo -69.69 -10.52 28.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.65 35.17 2.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.948 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -128.86 -158.47 9.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.82 11.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -67.7 -37.45 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -49.21 90.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.48 -51.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.769 HD12 HD23 ' A' ' 20' ' ' LEU . 94.4 mt -66.8 -44.62 80.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.56 HD12 HD11 ' A' ' 20' ' ' LEU . 66.7 mt -125.92 165.77 18.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 15.4 mt-30 -137.94 163.35 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.88 141.32 58.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 74.93 27.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.518 ' HB3' HG21 ' A' ' 100' ' ' VAL . 7.4 m-20 -80.13 76.93 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -35.94 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 77' ' ' MET . 48.4 t -67.81 129.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -111.0 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 ttm -134.19 153.12 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.4 t -138.78 104.96 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 55.01 35.03 23.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 22.76 40.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 88' ' ' GLN . 22.4 m -122.56 124.24 26.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 125.2 11.9 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 69' ' ' VAL . 6.8 mmt -108.52 15.19 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.12 122.9 35.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 64.75 43.96 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.03 174.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.6 142.75 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.7 t60 -47.97 -40.28 21.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.8 p -67.19 -32.69 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -67.73 -39.59 84.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.727 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.33 -46.29 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.95 -41.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -40.38 -58.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.1 mm-40 -49.84 -41.19 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.06 -53.04 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -66.66 -22.65 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.81 -34.44 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -56.23 124.35 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.59 -80.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -130.71 -49.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 21' ' ' GLN . 30.3 mm -103.34 133.64 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -130.93 152.51 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.16 104.94 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -102.87 137.25 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 t -112.29 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.518 HG21 ' HB3' ' A' ' 67' ' ' ASP . 3.8 m -106.25 154.41 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -122.97 124.44 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -106.56 134.87 19.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.4 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.402 ' CZ2' ' HB3' ' A' ' 103' ' ' PRO . 71.0 m95 -82.09 105.13 12.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.59 139.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -93.8 135.14 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 102' ' ' ARG . 5.5 m-85 -120.92 110.61 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -103.55 99.27 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -117.35 156.3 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.82 128.74 55.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.642 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.6 mt -106.99 151.06 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' GLY . 70.4 mt-30 -105.51 125.83 51.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -59.05 92.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 18.5 t70 -63.47 169.18 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -39.33 -66.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -111.57 -42.21 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HG2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -82.41 47.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -14.67 -71.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' A' ' 20' ' ' LEU . 14.2 m-85 -114.74 5.35 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.8 49.21 3.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.625 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -139.85 156.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.62 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 82' ' ' HIS . 30.2 m -104.53 150.92 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -143.04 141.11 31.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.5 -151.3 17.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.15 141.16 3.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB3' ' C ' ' A' ' 79' ' ' ASP . 6.0 ptm180 -55.63 -13.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.7 -20.52 7.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -132.75 58.56 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.377 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.1 t-80 -42.21 -45.67 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -33.12 100.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.8 pp20? -34.03 -53.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 16.4 t30 -56.68 -57.64 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.42 76.82 0.25 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -131.67 80.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.1 p -42.11 -38.1 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -40.7 112.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 85' ' ' ALA . 45.9 mm -52.91 126.59 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -126.09 152.23 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.6 mm -85.57 103.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -94.47 19.01 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.8 t0 -162.36 122.21 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.4 t -135.0 93.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.652 HD22 ' HG2' ' A' ' 26' ' ' ARG . 6.8 tp -37.07 114.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.61 21.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.86 30.73 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.608 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -125.95 -161.62 11.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.72 -33.38 16.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.276 . . . . 0.0 112.361 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.58 -36.33 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.77 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.69 -46.36 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.937 ' O ' HG21 ' A' ' 18' ' ' VAL . 34.8 mt -71.33 -35.11 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.506 ' CD1' HD11 ' A' ' 20' ' ' LEU . 74.4 mt -133.04 165.82 23.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -135.82 167.82 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.0 144.98 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 65.41 34.91 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' ARG . 52.0 p-10 -83.27 82.44 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.1 mpt_? -34.21 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ASP . 60.0 t -70.66 127.29 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 t -108.11 -57.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 ttm -132.89 153.8 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 86.3 t -139.82 104.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 58.96 30.59 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.65 22.86 32.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.411 HG22 ' CE ' ' A' ' 77' ' ' MET . 30.4 m -125.76 127.51 24.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 124.8 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.6 mmt -106.72 16.15 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.67 121.94 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.41 ' C ' ' HB3' ' A' ' 36' ' ' ARG . 7.9 t0 66.22 45.21 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.401 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.5 m -123.48 166.95 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.34 147.6 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.864 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.8 t60 -50.82 -36.15 35.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -70.13 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.401 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.0 t80 -71.89 -41.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -65.29 -50.02 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.1 p -62.86 -38.29 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.456 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -42.79 -57.2 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -50.18 -40.44 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.73 -48.84 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.9 ptp180 -71.21 -20.95 62.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -80.16 -42.74 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -45.86 126.13 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.17 -75.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -130.93 -46.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 38.7 mm -105.95 138.35 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.0 154.27 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.74 104.44 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 72' ' ' VAL . 63.6 mt -102.61 135.42 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.7 t -110.18 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -105.16 168.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -135.81 120.91 18.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 10.5 mtt180 -105.32 131.48 21.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -78.62 106.74 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.94 142.11 27.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -94.03 138.13 32.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -124.28 108.27 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 m -95.24 98.58 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -118.27 148.08 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.631 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -105.75 132.85 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.6 mt -107.57 149.48 27.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 49.8 mt-30 -112.83 124.4 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -56.48 96.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 8.7 t0 -51.31 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.4 m -42.27 -76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -111.98 -57.93 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -44.08 -38.74 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.493 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 79.77 -141.61 23.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -50.06 -18.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.59 52.56 44.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 59' ' ' ALA . 14.1 pt -142.68 158.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -144.74 133.11 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 48' ' ' ILE . 14.4 m -103.03 150.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -140.17 144.58 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -179.62 20.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.47 157.95 16.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -68.28 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.21 -27.64 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.83 58.82 41.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.84 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.5 t-80 -53.53 -37.02 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -32.6 106.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -32.49 -53.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -59.27 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 125.44 21.53 2.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.422 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.08 111.37 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.6 p -82.38 46.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.5 m -128.56 124.58 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.466 HG23 ' HB ' ' A' ' 32' ' ' VAL . 34.7 mm -56.54 126.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -131.37 154.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -86.38 98.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -89.33 13.81 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.3 t70 -156.42 125.48 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.502 HG13 ' HB1' ' A' ' 59' ' ' ALA . 53.3 t -135.05 93.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.956 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.2 tp -33.51 112.09 0.39 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.42 13.3 5.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.956 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -111.11 -159.28 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -37.74 8.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -57.29 -46.12 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -48.13 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 127.09 -52.2 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 20' ' ' LEU . 68.3 mt -67.84 -46.76 70.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 20' ' ' LEU . 79.3 mt -124.99 167.28 14.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -130.37 179.68 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.18 144.87 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.75 40.07 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.972 ' OD2' HG21 ' A' ' 100' ' ' VAL . 11.0 t0 -89.54 90.35 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.5 mpt_? -37.35 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 t -78.02 131.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.34 -58.51 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 9.3 ttp -130.01 147.4 51.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 69.4 t -135.29 104.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 64.19 27.93 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.1 26.15 24.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 m -130.11 126.84 22.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 72' ' ' VAL . 8.6 mmt -95.41 13.57 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.88 125.51 34.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 t70 65.35 42.04 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -122.78 170.56 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.01 153.05 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.787 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.9 t60 -54.62 -39.04 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -67.57 -29.15 68.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -74.12 -41.86 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.84 -46.67 80.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.39 -36.1 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -43.45 -57.14 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -48.35 -42.25 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.32 -54.19 49.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.7 ptm85 -65.37 -26.04 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -74.6 -40.95 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -53.68 153.51 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.35 -90.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -112.07 -37.41 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 21' ' ' GLN . 46.0 mm -115.11 133.48 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.58 138.8 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.55 132.12 47.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.5 136.87 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.9 t -113.45 98.85 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.972 HG21 ' OD2' ' A' ' 67' ' ' ASP . 33.9 m -100.88 169.66 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -138.01 118.07 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -105.96 135.99 19.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.785 0.326 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 53.3 m95 -78.83 113.13 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -99.3 143.18 29.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -93.97 148.36 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -132.57 119.64 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -104.86 100.03 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.4 m -118.93 142.62 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.83 131.06 53.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.4 mt -107.06 142.84 36.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 41.3 mt-30 -99.08 131.65 44.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -64.85 89.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.49 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 9.3 t70 -55.44 166.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.0 p -44.56 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -110.03 -21.59 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.8 mmt180 -106.49 58.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -24.41 -90.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 30' ' ' ILE . 9.6 m-85 -101.6 6.04 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 32.89 50.7 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 7.6 pt -141.62 165.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.27 142.46 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' HB ' HG23 ' A' ' 48' ' ' ILE . 9.1 m -110.07 149.2 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 m -144.59 133.71 22.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.92 176.63 15.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.23 170.92 35.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -72.34 -12.69 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.85 -27.64 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -133.61 66.26 73.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.58 ' HB3' HG22 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 80.95 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -37.18 -54.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.847 ' CE2' HG21 ' A' ' 49' ' ' VAL . 1.6 m-85 -32.75 117.26 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -55.81 -28.24 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -70.35 -26.71 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.71 20.9 8.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 14.1 tt0 -77.1 125.75 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 39' ' ' PRO . 33.8 p -101.96 50.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -119.54 132.96 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.831 HG12 ' HB2' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -65.38 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.85 152.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.439 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.0 mm -84.53 106.88 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.438 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.5 t -96.86 17.53 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.7 m-20 -162.14 121.89 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 59' ' ' ALA . 45.4 t -134.45 94.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.986 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.76 106.75 0.28 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.8 Cg_endo -69.73 0.16 6.02 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.55 9.62 3.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.986 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -110.58 -156.89 15.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.86 19.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.61 -45.33 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -46.18 89.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.49 -52.91 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.863 ' CD1' HD23 ' A' ' 20' ' ' LEU . 84.3 mt -63.89 -51.1 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 20' ' ' LEU . 18.5 mt -119.92 174.99 6.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -141.87 169.14 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.16 145.59 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 66.02 37.88 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.504 ' OD2' HG11 ' A' ' 100' ' ' VAL . 31.5 p-10 -91.91 91.07 7.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -45.18 100.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 48' ' ' ILE . 12.7 t -76.17 126.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.61 -47.47 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ttm -137.75 148.54 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 98' ' ' ILE . 68.1 t -141.98 109.92 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 59.76 27.6 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 26.9 24.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -132.98 130.05 21.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.549 0.69 . . . . 0.0 111.159 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 127.98 15.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.404 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.3 mmt -106.29 22.38 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -96.26 124.57 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.9 41.07 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.2 m -114.94 171.32 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.8 147.01 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.427 ' CE1' HG23 ' A' ' 32' ' ' VAL . 17.1 t60 -49.62 -41.68 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -69.28 -29.0 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.424 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.4 t80 -69.82 -44.66 69.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 48' ' ' ILE . . . -62.73 -47.94 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 82' ' ' HIS . 4.6 p -64.7 -42.92 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' VAL . 2.5 tp60 -38.72 -58.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -46.63 -40.38 12.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.24 -54.57 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -65.98 -15.84 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -85.13 -31.0 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -63.62 133.68 54.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.84 -87.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -114.6 -48.01 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 21.0 mm -101.88 128.85 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.08 143.51 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.0 121.42 44.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 72' ' ' VAL . 40.6 mt -127.49 126.76 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.76 98.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.535 HG21 ' NH2' ' A' ' 102' ' ' ARG . 29.5 m -99.06 174.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -139.35 133.39 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.535 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.8 mtt-85 -122.72 138.68 29.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 103' ' ' PRO . 63.0 m95 -78.94 106.17 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.99 134.83 35.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -93.37 140.06 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.23 112.19 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -101.42 101.74 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.36 153.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.13 128.74 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.867 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.7 mt -109.61 154.04 23.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 66.7 mt-30 -107.67 137.6 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.595 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -72.09 92.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 15.6 t0 -56.21 -175.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -66.29 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -14.01 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' ' C ' ' A' ' 27' ' ' GLY . 27.4 mmt180 -121.85 64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . -26.89 -93.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 18.1 m-85 -95.28 10.92 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.8 59.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.641 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -147.57 158.81 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.749 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -143.42 128.45 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 82' ' ' HIS . 18.3 m -96.95 144.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -134.14 141.14 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.75 -158.91 14.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.15 144.44 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -45.11 -34.98 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.94 -14.29 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -133.25 60.69 50.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 79.91 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.8 t-80 -45.86 -41.59 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -31.41 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.5 tt0 -31.98 -45.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.01 -66.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.84 71.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -123.76 114.35 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -81.6 54.0 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 m -132.67 121.94 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG13 ' HB2' ' A' ' 85' ' ' ALA . 43.5 mm -58.53 120.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.43 150.04 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.641 HD12 ' HB ' ' A' ' 30' ' ' ILE . 21.0 mm -82.98 105.33 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.454 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 1.3 t -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.3 m-20 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.5 t -130.84 94.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.029 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.0 tp -32.31 109.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.74 21.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.03 31.42 2.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 1.029 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -129.96 -158.99 9.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -31.73 19.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -66.88 -43.89 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -48.75 92.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.56 -51.6 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.867 ' CD1' HD23 ' A' ' 20' ' ' LEU . 62.7 mt -69.02 -49.82 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 20' ' ' LEU . 28.9 mt -119.05 170.65 8.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -141.66 169.61 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 138.6 54.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 73.88 31.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ARG . 49.7 p-10 -83.67 78.81 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -34.89 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.8 t -75.78 130.93 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -109.72 -51.58 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.37 152.83 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -142.27 104.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 60.61 29.1 18.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.81 23.5 30.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.407 HG21 ' NE2' ' A' ' 88' ' ' GLN . 28.0 m -127.08 126.94 24.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.04 11.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -106.48 14.8 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.11 123.98 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 63.32 46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.41 168.18 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.71 144.71 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.528 ' CE1' HG23 ' A' ' 32' ' ' VAL . 3.1 t60 -44.88 -48.26 11.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.0 p -55.96 -42.8 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.43 -38.06 85.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -66.63 -56.07 12.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.2 p -60.71 -35.42 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.7 -58.26 2.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.407 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.6 mm-40 -50.55 -40.94 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.84 -53.55 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 6.9 ptm180 -63.12 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -70.07 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -51.86 130.98 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.54 -80.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -122.89 -37.72 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 40.2 mm -113.94 141.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -136.98 134.68 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.68 122.16 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.7 mt -118.71 141.5 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.75 98.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -98.99 -176.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -153.18 122.7 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -113.09 123.82 32.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 80.0 m95 -78.06 101.95 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -96.01 144.66 26.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.29 148.72 21.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -134.71 107.92 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -88.14 98.97 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.27 146.67 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -103.09 129.57 49.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 62' ' ' LEU . 4.0 mt -108.11 143.83 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG2' HD12 ' A' ' 95' ' ' ILE . 78.7 mt-30 -109.26 125.19 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -55.71 101.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.53 -177.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 m -41.48 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -111.98 -57.08 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -41.01 -46.37 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.21 -129.69 9.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.57 -4.77 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.42 55.22 6.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 20.1 pt -149.11 162.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.8 146.68 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.664 ' HB ' HG23 ' A' ' 48' ' ' ILE . 18.7 m -115.42 152.12 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.58 145.16 28.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.556 ' O ' HD13 ' A' ' 48' ' ' ILE . . . 83.59 106.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' CD1' ' A' ' 48' ' ' ILE . . . -111.34 -156.77 14.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -89.43 -8.61 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.5 m-20 -121.75 -28.19 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -127.55 57.21 23.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.86 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 1.3 t-80 -49.57 -35.33 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' GLU . 2.0 t80 -33.93 109.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.3 pp20? -33.1 -54.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.67 -74.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.92 32.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' OE1' ' NE ' ' A' ' 68' ' ' ARG . 8.8 tt0 -77.47 113.2 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -91.61 47.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.523 ' CB ' ' HD2' ' A' ' 68' ' ' ARG . 18.1 m -123.17 99.21 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.664 HG23 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mm -34.02 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.64 145.64 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.3 mm -81.49 106.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -100.18 17.85 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.837 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 5.5 m-20 -157.08 115.85 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.8 t -131.3 93.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.766 HD23 ' CA ' ' A' ' 57' ' ' GLY . 4.0 tp -33.5 122.09 0.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.8 24.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.98 23.08 2.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.766 ' CA ' HD23 ' A' ' 54' ' ' LEU . . . -107.56 -164.47 21.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.02 21.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.317 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -88.16 6.46 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 2.2 p-10 -80.04 42.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.87 -28.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 20' ' ' LEU . 69.4 mt -80.73 -46.09 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.55 171.74 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.421 ' CD ' ' HD3' ' A' ' 102' ' ' ARG . 7.3 pt20 -134.76 169.15 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.37 149.01 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 62.63 31.19 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.822 ' OD2' HG21 ' A' ' 100' ' ' VAL . 7.6 t0 -91.0 116.58 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 mmt85 -65.95 109.85 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.4 t -77.44 127.59 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.91 -55.09 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttm -132.26 154.49 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' MET . 77.0 t -145.38 105.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 61.42 25.39 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 26.62 16.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.602 HG21 ' NE2' ' A' ' 88' ' ' GLN . 91.5 m -129.11 128.81 23.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.602 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.3 mmt -100.33 11.37 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -87.88 121.77 30.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 t0 67.01 44.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.59 171.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 37' ' ' ASP . 44.5 mt -83.57 139.75 32.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.468 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.5 t60 -45.4 -32.82 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 m -73.98 -37.07 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.58 -40.65 89.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -60.07 -50.71 72.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' GLN . 2.6 p -62.36 -42.04 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER -35.91 -63.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.602 ' NE2' HG21 ' A' ' 75' ' ' THR . 93.0 mm-40 -37.47 -39.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.69 -56.03 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 2.5 ptm180 -60.92 -40.4 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -58.9 -61.81 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 1.9 t -37.89 138.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.09 -74.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -132.91 -35.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' HG2' ' A' ' 21' ' ' GLN . 35.7 mm -111.85 134.14 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.44 145.59 51.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.91 92.64 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.2 mt -93.64 134.74 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.35 98.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.822 HG21 ' OD2' ' A' ' 67' ' ' ASP . 27.8 m -100.73 176.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 68' ' ' ARG . 35.7 pttt -139.46 120.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.421 ' HD3' ' CD ' ' A' ' 64' ' ' GLN . 18.0 mtt180 -110.83 134.84 20.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.2 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.826 0.345 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -79.15 104.88 10.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.8 149.88 21.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 7.7 mt-30 -93.84 158.75 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 16.2 m-85 -140.47 107.61 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -96.83 99.94 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.43 160.93 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.9 133.19 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.83 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.3 mt -111.26 143.04 42.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 68.7 mt-30 -101.37 134.34 44.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -65.58 91.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.73 -179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -39.01 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLY . 38.7 mmtt -111.87 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' LYS . 41.1 mmt-85 -34.24 -35.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 78.95 -117.65 4.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 30' ' ' ILE . 35.2 m-85 -81.73 10.06 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.94 45.78 1.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.1 pt -144.49 150.24 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.04 135.61 36.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.575 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.8 m -96.44 157.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 p -143.8 165.62 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.21 -153.72 36.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.85 165.57 13.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.96 -26.51 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -106.93 -19.68 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.71 57.73 30.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 79.54 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -89.17 74.41 8.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -134.88 25.74 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 39.87 24.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' PHE . 9.3 t30 -134.95 -45.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.3 28.94 3.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 127.75 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 p -97.64 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 162.25 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.776 HG13 ' HB2' ' A' ' 85' ' ' ALA . 33.0 mm -99.52 118.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.461 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 1.5 m -117.93 168.29 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.9 mm -92.75 106.69 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -97.58 15.49 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.2 t70 -160.96 122.55 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' LEU . 87.3 t -132.27 93.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.004 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.7 tp -35.26 109.85 0.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.6 26.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.13 31.27 2.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 1.004 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -130.46 -155.09 8.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.6 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.85 -52.4 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -38.5 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.26 -49.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.83 ' CD1' HD23 ' A' ' 20' ' ' LEU . 15.3 mt -69.65 -52.39 26.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 20' ' ' LEU . 25.6 mt -116.74 169.82 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.429 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 5.2 pt20 -140.04 161.34 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 2.4 tt0 -66.22 138.67 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.444 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 2.1 m120 74.98 38.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 100' ' ' VAL . 26.3 m-20 -98.1 93.16 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -41.8 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.654 HG12 ' HG3' ' A' ' 77' ' ' MET . 43.0 t -68.46 106.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -82.67 -62.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.507 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 14.9 ttp -127.37 150.08 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.6 t -136.79 105.21 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 61.21 29.48 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.75 29.41 18.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.436 HG21 ' NE2' ' A' ' 88' ' ' GLN . 41.9 m -131.66 127.3 21.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.654 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.9 mmt -99.91 15.42 27.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.65 120.16 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.1 43.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 16.6 m -119.24 175.0 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' PHE . 93.4 mt -91.15 144.52 25.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -42.91 -45.58 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.5 p -64.6 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.521 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 86.9 t80 -64.43 -40.17 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.776 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.52 -50.75 66.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.96 -36.67 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.99 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.436 ' NE2' HG21 ' A' ' 75' ' ' THR . 79.2 mm-40 -52.17 -38.99 59.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.19 -55.18 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.2 ptm85 -60.88 -33.78 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.86 -50.75 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -46.06 134.83 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.17 -85.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -122.94 -37.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 39.9 mm -107.35 137.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.26 147.34 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.13 136.15 50.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.457 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -130.11 136.98 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.35 99.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 69' ' ' VAL . 31.2 m -109.39 160.86 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -125.27 119.37 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -106.21 139.71 20.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.855 0.359 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 59.3 m95 -78.71 104.44 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.03 141.7 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.86 136.52 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.88 108.8 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 m -96.54 98.0 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -118.75 156.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.77 124.93 51.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 62' ' ' LEU . 7.0 mt -99.49 147.85 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 95' ' ' ILE . 62.4 mt-30 -112.43 128.14 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -58.59 115.71 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' SER . 5.2 t70 -84.24 -178.55 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 62.2 m -38.59 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -112.21 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 54' ' ' LEU . 32.7 mmt180 -44.76 -42.72 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 -90.23 1.36 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -108.08 4.83 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.29 51.19 2.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 50' ' ' ILE . 6.5 pt -143.39 148.22 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.842 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -136.51 125.72 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 29.5 m -99.5 154.74 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -144.53 141.32 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.68 -146.41 17.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.51 131.56 3.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -48.11 -19.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -110.13 -22.9 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 18.5 t30 -131.03 60.43 53.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 80.48 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.7 t-80 -48.93 -37.67 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -35.2 99.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.5 pt-20 -31.41 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 25.2 t-20 -62.41 -60.03 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.05 30.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.74 126.01 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -86.07 48.23 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.3 m -115.67 143.06 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.48 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 14.1 mm -84.9 111.78 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -117.37 157.2 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.2 mm -86.56 105.79 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.1 t -95.65 16.98 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.842 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m-20 -163.43 120.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -128.58 93.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -34.22 116.61 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.31 20.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -108.97 -165.28 20.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.668 ' O ' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.79 -24.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 53' ' ' VAL . . . -95.34 8.92 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.7 p-10 -82.45 42.91 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.15 -32.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 58' ' ' PRO . 13.6 mt -77.97 -36.84 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.62 161.62 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 10.1 pt20 -131.86 166.15 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.0 tt0 -58.75 144.84 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 70.94 30.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.597 ' HB3' HG11 ' A' ' 100' ' ' VAL . 9.8 m-20 -79.12 70.49 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.51 ' NH2' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -32.19 94.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HG3' ' A' ' 77' ' ' MET . 38.5 t -67.65 121.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -101.88 -54.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 ttm -133.08 148.38 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 ' HG3' ' A' ' 77' ' ' MET . 74.3 t -138.36 104.92 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 60.45 28.9 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.55 24.78 27.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.433 HG21 ' NE2' ' A' ' 88' ' ' GLN . 25.6 m -127.15 126.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.7 mmt -98.82 13.39 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -92.96 122.49 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t0 67.34 42.18 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -121.12 166.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.2 146.52 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.3 t60 -49.87 -45.29 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -71.14 -37.44 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -67.11 -49.38 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.3 p -66.04 -36.09 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.0 tp60 -43.58 -57.71 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' NE2' HG21 ' A' ' 75' ' ' THR . 76.1 mm-40 -50.73 -37.34 41.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 mt -68.15 -49.49 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.9 ptp180 -69.99 -19.31 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -81.21 -45.53 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -47.66 138.43 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.29 -73.02 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -133.78 -44.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 21' ' ' GLN . 27.0 mm -108.22 129.64 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.24 151.26 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.74 110.58 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.14 139.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.66 98.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 67' ' ' ASP . 6.0 m -106.87 165.22 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -107.25 135.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 77.5 m95 -78.57 101.96 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 10.5 mt-10 -95.24 142.02 28.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.67 134.23 35.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.16 123.07 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.6 m -105.61 97.7 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.5 m -123.84 152.49 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.64 132.73 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.853 HD23 HD12 ' A' ' 62' ' ' LEU . 4.7 mt -107.25 147.31 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 55.5 mt-30 -105.49 131.77 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -66.01 86.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.486 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 2.8 t70 -55.5 164.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.6 p -35.63 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -29.93 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.641 ' O ' ' C ' ' A' ' 27' ' ' GLY . 33.3 mmt180 -90.36 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -12.92 -95.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.02 4.01 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 36.37 58.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.2 pt -147.45 153.62 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -134.74 121.55 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 HD13 ' A' ' 50' ' ' ILE . 34.6 m -98.28 155.35 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -146.48 148.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -151.28 19.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.24 125.92 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 11.6 ptm180 -55.2 -17.1 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 -27.89 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -132.6 64.78 72.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.0 t-80 -50.13 -43.39 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.2 t80 -30.87 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.4 tt0 -31.21 -57.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.04 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.69 73.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' THR . 22.5 tt0 -134.99 83.31 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 36' ' ' ARG . 72.3 p -32.93 -41.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -38.99 130.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.27 140.84 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.15 140.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 30' ' ' ILE . 25.2 mm -78.34 97.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -87.67 20.23 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 31.4 t0 -164.19 122.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG13 ' HB1' ' A' ' 59' ' ' ALA . 72.0 t -134.43 93.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.549 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.6 tp -38.37 114.77 0.81 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.19 34.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.22 16.95 8.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -114.47 -163.02 14.38 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.04 24.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -71.2 -31.9 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.48 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.64 -53.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 20' ' ' LEU . 94.5 mt -63.43 -44.48 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.524 HD22 ' OD2' ' A' ' 67' ' ' ASP . 87.4 mt -130.27 169.84 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 3.1 pt20 -135.95 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 3.5 tt0 -66.34 146.82 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.66 40.81 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.547 ' OD2' HG21 ' A' ' 100' ' ' VAL . 2.4 m-20 -80.53 91.27 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG12 ' HG3' ' A' ' 77' ' ' MET . 36.2 t -62.38 122.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.07 -50.47 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttm -136.5 150.68 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.521 HG22 HG23 ' A' ' 98' ' ' ILE . 47.8 t -137.54 108.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 53.05 32.48 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.74 25.57 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 m -127.23 128.75 24.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.76 10.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.642 ' HG3' HG12 ' A' ' 69' ' ' VAL . 9.8 mmt -104.84 11.38 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.88 122.91 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.1 44.81 4.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.4 m -122.0 162.42 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.11 148.11 46.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.87 -27.41 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 t -77.38 -35.93 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.25 -44.54 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.33 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 89' ' ' LEU . 5.4 p -68.28 -43.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 86' ' ' VAL . 12.6 tt0 -40.06 -51.09 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.2 -33.12 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' VAL . 43.6 mt -70.6 -47.84 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.5 ptm85 -67.86 -15.32 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -85.01 -38.2 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -53.39 123.38 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.18 -76.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -131.49 -36.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.6 mm -111.6 132.17 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.24 140.71 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.1 110.2 21.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.521 HG23 HG22 ' A' ' 72' ' ' VAL . 54.9 mt -113.88 134.17 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.46 99.9 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.547 HG21 ' OD2' ' A' ' 67' ' ' ASP . 18.8 m -107.68 165.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 24.6 pttt -132.04 123.16 26.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.435 HH11 ' CG ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -103.32 127.3 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.827 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -78.93 102.87 8.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.98 139.71 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.58 130.1 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-85 -117.67 109.92 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.2 m -101.14 98.54 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.621 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.7 m -114.7 148.55 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.31 129.99 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 62' ' ' LEU . 6.8 mt -110.66 147.52 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.11 151.09 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -81.49 93.45 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -56.67 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -44.32 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' ARG . 38.6 mmtt -112.25 -57.68 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' LYS . 29.9 mmt-85 -32.69 -39.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 83.98 -100.76 2.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' ILE . 42.1 m-85 -106.46 10.6 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.06 50.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.5 pt -147.6 142.94 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.763 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . . . -134.24 133.38 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 18.9 m -97.4 154.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.2 p -132.57 172.53 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.45 -165.25 54.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.57 143.97 3.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -51.78 -34.45 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.06 -27.6 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -134.96 69.47 70.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.0 t-80 -43.07 -48.67 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -31.11 100.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 43' ' ' ASN . 8.1 pt-20 -35.09 -41.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 24.0 t30 -60.76 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.69 109.61 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.0 p -76.09 47.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.4 m -118.22 129.21 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.479 HG13 ' HB2' ' A' ' 85' ' ' ALA . 39.6 mm -70.28 113.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.25 157.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.1 105.34 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 t -99.49 24.27 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.763 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 18.2 t0 -164.4 121.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.3 t -134.91 93.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.96 106.83 0.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.75 4.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -145.68 19.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.76 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.64 -156.57 10.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -37.07 9.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -61.1 -50.67 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.17 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 120.76 -49.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.855 ' CD1' HD23 ' A' ' 20' ' ' LEU . 78.0 mt -69.55 -49.42 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.793 HD12 HD11 ' A' ' 20' ' ' LEU . 32.8 mt -118.08 169.57 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -139.68 158.53 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.77 150.53 41.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.77 35.57 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.5 m-20 -91.62 84.97 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -37.4 100.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.705 HG12 ' HG3' ' A' ' 77' ' ' MET . 39.4 t -73.5 112.85 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -90.95 -55.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' HA2' ' A' ' 74' ' ' GLY . 11.1 ttm -133.79 147.76 51.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.589 HG23 ' HG3' ' A' ' 77' ' ' MET . 65.6 t -135.26 101.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 8.6 m-20 60.11 37.41 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' SD ' ' A' ' 71' ' ' MET . . . 84.44 21.12 57.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.543 HG21 ' CD ' ' A' ' 88' ' ' GLN . 91.1 m -123.18 126.24 25.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.625 2.217 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.705 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.2 mmt -106.8 19.47 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 5.1 pt-20 -97.39 113.23 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 72.65 44.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -118.3 169.34 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.06 150.46 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -50.54 -40.25 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 t -68.09 -33.27 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.17 -49.0 76.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -53.43 -50.22 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -69.52 -41.97 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' A' ' 91' ' ' LYS . 4.7 tt0 -39.53 -45.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.543 ' CD ' HG21 ' A' ' 75' ' ' THR . 85.7 mm-40 -64.28 -38.28 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' VAL . 77.5 mt -65.88 -53.43 39.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -62.97 -20.93 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 16.9 mtpt -77.36 -28.88 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -63.57 153.87 34.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.55 -66.22 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -132.03 -41.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.8 145.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.72 140.57 31.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASN . . . -108.8 123.41 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.42 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -122.86 133.06 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.24 98.99 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 69' ' ' VAL . 25.5 m -105.68 168.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -133.45 123.32 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -107.15 133.87 20.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -139.59 124.67 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -53.74 -59.02 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.82 -170.76 38.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -46.84 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -129.91 155.69 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.5 84.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.428 ' C ' ' HG2' ' A' ' 9' ' ' GLU . 32.0 mtt -128.72 165.13 21.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.745 0.307 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 8' ' ' MET . 16.7 pt-20 39.4 49.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -73.97 -177.2 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 105' ' ' LYS . 12.2 p -142.11 132.26 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -89.98 104.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 75.2 m95 -81.81 109.12 15.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -99.34 139.76 34.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -94.1 153.12 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -138.39 111.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -98.36 99.92 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -117.32 149.81 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.465 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -106.61 129.91 54.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.795 HD23 HD12 ' A' ' 62' ' ' LEU . 3.7 mt -108.3 150.03 27.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 47.5 mt-30 -107.46 128.51 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -62.38 96.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.6 t70 -62.9 -174.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -42.09 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -112.41 -50.02 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -52.22 -20.17 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.462 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 55.1 -110.67 1.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -80.65 4.81 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.24 2.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.608 ' HB ' HD12 ' A' ' 50' ' ' ILE . 7.6 pt -149.86 158.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -140.79 142.64 34.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.31 143.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -136.96 141.88 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.99 -149.29 18.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.18 161.25 9.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -71.7 -9.02 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -122.97 -18.79 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.73 60.05 39.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 81.89 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.9 t-80 -45.26 -38.7 5.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.3 t80 -33.66 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.7 tt0 -33.68 -47.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -65.23 -55.98 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.71 81.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -131.79 106.92 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -76.28 48.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.3 m -129.62 117.32 20.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.555 HG13 ' HB2' ' A' ' 85' ' ' ALA . 25.0 mm -50.58 128.12 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.04 142.79 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.608 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.4 mm -76.2 105.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -92.17 14.12 17.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 5.0 t70 -162.79 130.08 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 54' ' ' LEU . 42.6 t -134.83 96.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.894 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -34.05 106.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.71 -7.71 21.74 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.17 19.1 4.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.894 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -119.49 -157.97 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.63 16.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -64.5 -44.68 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -44.46 91.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 124.24 -51.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.795 HD12 HD23 ' A' ' 20' ' ' LEU . 82.2 mt -66.05 -50.26 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 20' ' ' LEU . 70.6 mt -121.43 169.96 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -139.76 170.32 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.8 tt0 -71.68 140.65 49.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 0.9 OUTLIER 74.17 31.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.568 ' HB2' HG21 ' A' ' 100' ' ' VAL . 41.4 p-10 -86.34 82.96 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -37.7 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.9 t -68.94 129.77 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.24 -51.51 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ttm -135.39 154.75 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -146.42 105.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 61.09 25.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 29.96 10.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.7 m -134.43 126.43 18.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.99 6.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.3 mmt -97.36 15.9 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.48 124.33 33.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 60.83 42.05 13.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -117.21 162.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.89 141.85 44.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.2 t60 -45.57 -41.99 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -64.82 -36.32 83.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -64.36 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.555 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.75 -50.36 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.43 -40.98 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.8 tp60 -38.45 -58.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -49.74 -39.11 36.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.68 -50.6 70.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.1 ptm85 -67.5 -26.96 66.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -74.93 -39.07 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLY . 3.1 t -59.1 117.06 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.75 -81.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -132.85 -31.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 24.9 mm -111.55 127.08 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.22 152.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.16 115.32 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 50.6 mt -114.73 138.19 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.97 99.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 67' ' ' ASP . 5.2 m -105.86 159.88 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -123.95 138.9 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -121.48 138.66 28.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' LYS . 4.4 tmt_? -109.35 73.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.547 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.6 mtmt -35.69 140.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.32 100.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -123.41 175.18 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.5 m -146.36 130.62 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.12 142.5 36.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.21 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.7 118.23 31.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.8 p -120.79 174.33 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.18 -154.82 7.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 170.89 15.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.7 p -134.27 163.26 30.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.9 p -87.32 -177.68 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -132.61 143.02 49.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -85.52 127.97 34.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.11 62.06 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t -82.11 -67.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -65.11 111.11 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.08 -84.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -94.99 152.13 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -98.51 165.07 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 106' ' ' VAL . 3.3 mp0 -144.21 172.62 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.64 HG23 ' N ' ' A' ' 105' ' ' LYS . 11.7 p -145.8 141.91 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 24.1 mt -108.06 104.18 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 60.2 m95 -78.83 106.8 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -98.13 148.25 23.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -94.02 131.42 39.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.68 111.63 20.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -99.42 98.14 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -119.73 144.49 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.632 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -97.78 132.84 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.772 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.4 mt -111.92 155.03 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 72.8 mt-30 -111.15 136.32 50.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -69.41 87.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.71 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -40.2 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' GLY . 36.2 mmtt -111.72 -57.26 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -42.64 -24.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 25' ' ' LYS . . . 67.73 -123.93 20.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -72.34 1.42 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 45.84 58.11 5.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.54 HG23 ' HB2' ' A' ' 59' ' ' ALA . 2.2 pt -155.17 144.18 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.839 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -129.65 132.91 46.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 48' ' ' ILE . 25.0 m -106.17 139.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -125.77 156.55 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 -154.18 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.96 149.68 5.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 36' ' ' ARG . 3.3 ppt_? -63.72 -9.46 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -116.36 -28.05 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -134.38 65.7 68.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 83.13 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -34.0 -51.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.3 m-85 -32.68 109.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.1 -32.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -68.12 -49.12 63.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.44 52.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -99.87 115.36 29.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.9 p -85.11 42.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.1 m -121.04 132.51 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.611 HG13 ' HB2' ' A' ' 85' ' ' ALA . 40.2 mm -67.01 124.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.84 148.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.472 HD12 ' HB ' ' A' ' 30' ' ' ILE . 8.5 mm -85.54 105.38 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -97.5 14.41 26.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.839 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.8 m-20 -159.07 119.4 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -129.57 93.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.493 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -35.3 105.72 0.28 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.76 1.0 4.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' H ' ' CD2' ' A' ' 54' ' ' LEU . . . -135.14 13.3 4.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -116.51 -156.09 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.6 6.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -58.72 -44.33 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -45.68 90.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.4 -50.68 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.772 ' CD1' HD23 ' A' ' 20' ' ' LEU . 97.6 mt -65.45 -51.4 60.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 20' ' ' LEU . 25.8 mt -117.99 169.54 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -134.63 173.7 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.64 150.28 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 62.31 25.03 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' HB3' HG21 ' A' ' 100' ' ' VAL . 5.8 m-20 -82.91 80.59 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.13 110.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 100' ' ' VAL . 12.5 t -77.88 136.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 t -109.59 -40.36 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ttm -144.81 150.95 38.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.1 t -142.65 105.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.89 27.66 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.16 23.43 27.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -128.55 126.76 23.53 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.635 0.731 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 124.17 10.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.0 mmt -102.77 22.4 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -96.35 121.4 38.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.15 44.17 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.5 m -117.73 171.46 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.5 mt -80.16 144.47 32.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 4.0 t60 -50.12 -39.01 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.3 m -70.67 -31.56 68.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.77 -46.41 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.611 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -57.94 -49.85 75.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -64.88 -41.84 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 4.7 tp60 -38.33 -58.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -49.18 -36.23 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' VAL . 39.1 mt -64.51 -54.83 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.7 ptm85 -62.1 -29.54 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.38 -49.48 48.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -50.39 123.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.31 -84.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -128.06 -28.87 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 37.0 mm -113.92 131.16 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.07 48.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.1 100.0 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 72' ' ' VAL . 70.3 mt -101.47 135.88 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.67 99.32 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 69' ' ' VAL . 10.4 m -104.33 170.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -129.94 119.65 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -106.67 139.66 20.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.74 114.12 3.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' LYS . 11.3 ttt85 -93.51 55.19 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 11' ' ' VAL . 5.9 mtpm? -34.07 140.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 10' ' ' GLU . 10.8 p -88.13 148.43 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -144.75 153.0 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.0 m -41.63 125.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.69 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 124.94 11.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -102.51 76.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -141.89 142.42 33.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.04 91.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 154.72 67.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.2 p -83.46 58.94 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 m 48.04 45.15 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -93.51 152.84 18.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -119.42 151.24 38.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.59 175.91 22.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -67.65 103.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -173.07 145.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.55 109.31 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 ptp -64.07 172.38 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -111.93 103.33 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -142.56 -177.68 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 105' ' ' LYS . 14.5 p -156.21 144.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 mt -104.2 104.29 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -79.57 106.12 11.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.77 136.88 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -93.88 155.04 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -142.31 108.99 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -91.19 101.77 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.5 m -124.05 144.3 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -109.55 133.51 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.857 HD23 ' CD1' ' A' ' 62' ' ' LEU . 1.3 mt -106.76 160.07 15.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 39.3 mt-30 -113.51 125.27 54.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -58.04 87.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -51.47 -174.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -43.17 -77.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -112.68 -50.37 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt-85 -48.69 -19.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.68 -107.94 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' ILE . 20.2 m-85 -87.61 4.38 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.55 60.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 59' ' ' ALA . 3.4 pt -152.01 153.95 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -140.09 120.3 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 48' ' ' ILE . 26.6 m -93.96 158.61 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -136.11 176.3 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' C ' ' HA ' ' A' ' 39' ' ' PRO . . . 99.16 -144.78 17.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.94 138.73 4.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -63.63 -33.96 76.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -103.11 -26.52 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -133.35 64.24 68.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' C ' ' A' ' 34' ' ' GLY . 53.9 Cg_endo -69.69 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.328 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.2 t-80 -52.77 -40.26 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.1 t80 -33.66 105.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.7 pp20? -33.67 -49.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 5.8 t-20 -58.21 -45.78 87.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 119.79 22.19 3.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 129.03 35.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.1 p -92.54 46.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.1 t -121.89 124.2 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 69' ' ' VAL . 35.2 mm -60.65 106.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -118.4 140.04 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.3 mm -74.92 106.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.467 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 5.5 t -94.41 9.38 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -158.83 125.91 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG13 ' HB1' ' A' ' 59' ' ' ALA . 55.3 t -132.52 97.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.597 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.9 tp -38.93 111.05 0.62 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.544 0.688 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.2 Cg_endo -69.8 -7.92 22.29 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.16 2.05 8.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -101.33 -161.8 27.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.97 19.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.23 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.26 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.857 ' CD1' HD23 ' A' ' 20' ' ' LEU . 94.9 mt -63.85 -50.57 68.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.424 HD12 HD11 ' A' ' 20' ' ' LEU . 89.9 mt -121.64 167.65 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.67 -179.55 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 2.3 tt0 -80.08 140.18 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' GLU . 1.3 m-80 74.99 25.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.605 ' OD2' HG11 ' A' ' 100' ' ' VAL . 23.7 p-10 -80.38 79.12 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HE ' ' CB ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -35.71 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.2 t -69.93 130.28 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -109.95 -57.57 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.486 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 6.2 ttp -130.41 146.5 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.553 HG23 ' HG3' ' A' ' 77' ' ' MET . 63.1 t -134.49 103.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 64.03 28.71 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.03 24.53 29.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.7 m -128.45 127.41 23.64 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG3' HG23 ' A' ' 72' ' ' VAL . 7.4 mmt -95.64 14.67 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.16 123.09 32.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t70 64.75 42.92 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.64 165.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.51 146.84 44.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 5.4 t60 -55.19 -24.39 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.1 t -84.72 -29.08 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.72 -36.46 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 17.6 tt0 -44.71 -55.23 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -54.89 -34.36 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.64 -46.44 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 6.3 ptp180 -72.12 -9.81 58.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -91.2 -48.51 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 t -46.77 119.33 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -37.23 -85.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -127.11 -35.88 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 21.8 mm -110.02 126.87 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 92' ' ' SER . . . -127.68 148.28 50.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.81 127.14 53.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.1 mt -123.06 136.39 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.52 98.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.605 HG11 ' OD2' ' A' ' 67' ' ' ASP . 10.3 m -105.91 156.47 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -128.49 122.91 32.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.0 mtt-85 -104.3 131.07 22.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 116.29 4.49 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -103.89 78.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.625 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.0 mttm -45.31 142.12 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 106' ' ' VAL . 6.9 p -80.05 77.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -135.83 172.07 13.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.1 m -143.93 147.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.9 130.78 5.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.24 66.49 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.58 165.36 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.9 p -109.17 172.49 6.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.42 165.87 43.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 117.94 5.39 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.2 p -103.62 154.67 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 t -164.27 167.92 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -86.31 84.11 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -110.35 133.07 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.74 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -139.95 168.43 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -98.69 99.83 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.21 -40.21 0.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmm -49.29 168.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -122.11 176.56 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 -177.74 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 105' ' ' LYS . 12.1 p -152.48 135.29 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 10.0 mt -93.07 102.58 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.506 ' CD1' HG13 ' A' ' 11' ' ' VAL . 75.5 m95 -79.34 104.71 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.15 142.68 27.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -93.8 130.32 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 4.3 m-85 -110.25 109.32 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -88.8 97.87 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.09 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.29 137.11 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 62' ' ' LEU . 5.3 mt -104.22 141.17 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 50.6 mt-30 -107.37 128.45 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -53.44 94.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -49.95 179.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -37.64 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ARG . 26.8 mmtt -111.69 -61.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' LYS . 37.8 mmt-85 -35.9 -44.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.76 -128.95 9.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -67.5 -4.14 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.74 56.22 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 59' ' ' ALA . 7.2 pt -151.79 157.54 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.58 139.05 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' HB ' HG23 ' A' ' 48' ' ' ILE . 17.8 m -100.75 158.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.4 p -139.88 147.02 40.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.23 -177.41 36.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.69 145.36 6.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' N ' ' A' ' 80' ' ' VAL . 4.3 ppt_? -47.47 -20.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.15 -20.59 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -130.76 60.6 54.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.5 t-80 -47.55 -38.81 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' HIS . 3.1 t80 -32.39 103.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -33.12 -53.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -57.78 -57.89 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.72 76.14 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -128.33 118.04 22.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 p -81.15 49.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.5 m -127.0 109.08 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.519 HG13 ' HB2' ' A' ' 85' ' ' ALA . 46.1 mm -48.98 127.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -130.24 153.3 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.0 mm -84.6 103.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.6 t -93.14 18.94 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.828 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.8 m-20 -161.13 117.5 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.628 HG13 ' HB1' ' A' ' 59' ' ' ALA . 79.4 t -127.96 93.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.915 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.8 tp -33.24 108.85 0.31 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.0 Cg_endo -69.69 0.59 5.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.51 15.45 3.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.915 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -117.36 -155.5 10.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -41.07 4.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -55.34 -50.07 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.08 89.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 136.18 -56.21 0.7 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.874 HD12 HD23 ' A' ' 20' ' ' LEU . 13.7 mt -68.83 -61.27 1.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 100' ' ' VAL . 74.9 mt -108.84 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' OD1' ' A' ' 67' ' ' ASP . 3.8 pt20 -142.13 170.37 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.6 tt0 -63.47 139.73 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 73.05 44.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' HG12 ' A' ' 49' ' ' VAL . 17.1 m-20 -93.36 106.52 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.7 mpt_? -57.6 91.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 77' ' ' MET . 15.7 t -62.44 123.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.97 -60.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ttm -131.27 148.62 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 98' ' ' ILE . 97.6 t -138.28 107.1 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 57.77 34.83 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.03 30.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -134.07 127.41 19.1 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.131 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.02 10.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.9 mmt -103.53 13.17 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.64 123.74 33.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.5 45.22 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.435 ' N ' ' HB3' ' A' ' 36' ' ' ARG . 18.0 m -120.54 171.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.07 150.07 28.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -53.9 -38.32 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 m -71.08 -30.96 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.0 -45.68 80.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -58.26 -52.3 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' LEU . 3.6 p -65.73 -40.26 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.429 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 12.5 tt0 -41.92 -48.94 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -60.89 -32.49 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' VAL . 89.2 mt -73.54 -50.01 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 ptm180 -64.47 -12.2 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 35.6 mtpt -87.58 -39.32 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -50.76 155.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.89 -68.39 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 95' ' ' ILE . 16.9 ttpt -132.95 -33.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.545 HD13 ' O ' ' A' ' 94' ' ' LYS . 17.0 mm -118.16 135.41 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.75 137.17 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.21 121.41 42.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.683 HG23 HG22 ' A' ' 72' ' ' VAL . 20.8 mt -126.95 120.86 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.49 102.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.795 HG21 HD22 ' A' ' 63' ' ' LEU . 33.7 m -107.07 172.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -140.66 122.8 15.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -101.56 138.77 19.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 112.98 3.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 9.7 ttt180 -102.42 79.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.548 ' N ' HG23 ' A' ' 11' ' ' VAL . 36.2 mttt -45.99 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 107' ' ' GLN . 65.7 t -53.81 158.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.502 ' N ' HG12 ' A' ' 106' ' ' VAL . 1.9 tm0? -121.29 134.35 55.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.8 m -98.8 139.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -153.74 136.32 9.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.8 52.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.34 123.31 28.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.4 t -150.33 141.38 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.6 120.6 22.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 139.71 41.11 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 p -98.99 149.17 23.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.4 p -57.43 161.78 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 49.71 42.08 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -156.0 144.91 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.63 159.81 27.84 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -113.35 129.22 56.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -131.41 -55.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.92 55.07 2.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -63.84 161.34 15.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.88 129.17 56.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -103.83 174.23 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 105' ' ' LYS . 11.6 p -153.69 138.38 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.76 104.07 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.463 ' CD1' HG13 ' A' ' 11' ' ' VAL . 78.3 m95 -80.8 102.88 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -95.97 139.71 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -93.83 132.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 2.5 m-85 -112.52 109.89 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -96.27 98.56 10.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.21 154.84 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -111.04 126.98 55.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.858 HD23 HD12 ' A' ' 62' ' ' LEU . 6.3 mt -105.16 146.08 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 50.6 mt-30 -104.44 136.75 43.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -72.34 90.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.3 t0 -53.91 -175.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.35 -72.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -112.28 -60.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -45.36 -21.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 56.98 -114.55 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CE2' ' CE ' ' A' ' 22' ' ' LYS . 23.4 m-85 -77.18 1.46 18.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.19 56.31 4.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.532 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -151.1 148.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.76 137.99 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' HG23 ' A' ' 48' ' ' ILE . 30.4 m -106.47 147.49 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -140.16 143.51 36.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.77 -157.03 15.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.9 146.9 4.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ptt85 -60.07 -12.35 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.72 -27.73 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.41 65.13 71.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' HIS . 53.4 Cg_endo -69.75 79.99 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.89 -44.47 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -34.53 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 41' ' ' PHE . 8.6 pt-20 -32.88 -43.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.46 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 18.4 t-20 -63.55 -58.16 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.45 72.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.5 tt0 -121.87 106.16 11.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 p -79.36 52.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.1 m -139.12 110.27 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.6 HG13 ' HB2' ' A' ' 85' ' ' ALA . 47.0 mm -39.3 141.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.57 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 HD12 ' HB ' ' A' ' 30' ' ' ILE . 29.7 mm -76.51 107.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -94.64 12.16 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -163.96 129.45 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.485 HG13 ' HB1' ' A' ' 59' ' ' ALA . 71.5 t -133.14 93.63 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.613 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.5 105.77 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.705 . . . . 0.0 110.943 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.8 Cg_endo -69.74 4.32 2.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.499 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -140.2 14.24 3.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.613 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -118.21 -157.36 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.77 23.27 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -69.2 -36.52 77.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -55.53 94.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.12 -53.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.858 HD12 HD23 ' A' ' 20' ' ' LEU . 93.9 mt -63.17 -56.87 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 20' ' ' LEU . 76.7 mt -118.58 173.08 7.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.481 ' HA ' HG21 ' A' ' 53' ' ' VAL . 34.4 mt-30 -141.56 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.59 146.21 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.452 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 19.6 m-80 71.23 29.24 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' VAL . 4.8 m-20 -84.18 86.83 7.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -42.11 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HA ' HG12 ' A' ' 100' ' ' VAL . 43.9 t -65.86 128.83 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -109.34 -54.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.3 ttm -132.88 150.93 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' HG3' ' A' ' 77' ' ' MET . 92.7 t -143.51 105.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 61.16 30.12 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.31 29.4 22.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -133.45 126.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 0.0 111.087 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 120.66 7.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.61 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.5 mmt -100.31 13.88 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -91.84 126.55 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 61.53 45.75 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 173.37 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.2 t60 -53.24 -37.06 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -70.36 -28.41 65.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -73.36 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.5 -48.53 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.0 p -63.9 -41.6 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.484 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.9 tp60 -40.17 -57.68 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -49.64 -40.09 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.4 -48.9 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.3 ptp180 -72.41 -15.36 61.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -84.31 -37.84 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -57.93 145.12 36.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.63 -77.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -126.14 -39.76 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 45.3 mm -107.58 134.93 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.73 133.3 44.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.94 120.5 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 100' ' ' VAL . 85.2 mt -120.77 140.3 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.92 99.01 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 69' ' ' VAL . 30.1 m -107.45 165.26 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -128.41 122.62 31.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 26.3 mtm180 -105.79 133.55 20.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' LYS . 12.9 ttt-85 -111.85 71.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.3 mttp -38.18 150.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.9 t -60.37 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -160.76 152.52 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.99 131.78 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.5 138.49 75.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.44 30.94 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -146.56 151.48 37.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -67.79 162.06 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.04 -156.23 7.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -23.68 30.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 62.4 m -42.19 112.48 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.4 m -109.53 -56.52 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -62.08 140.68 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -106.91 -56.2 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 96.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 p -69.44 100.08 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t 60.06 38.8 20.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.3 -65.35 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 mtt -101.82 145.49 29.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.34 121.7 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HB2' HG11 ' A' ' 106' ' ' VAL . 15.2 mt-10 -107.77 -179.53 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG11 ' NE1' ' A' ' 13' ' ' TRP . 2.2 t -150.59 134.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -118.64 98.96 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.554 ' NE1' HG11 ' A' ' 11' ' ' VAL . 73.6 m95 -78.22 104.63 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 13.5 mt-10 -99.15 140.48 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.3 131.13 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CB ' HH21 ' A' ' 102' ' ' ARG . 90.6 m-85 -115.96 114.99 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -100.45 99.05 9.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.29 155.89 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.688 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -108.52 135.97 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 63' ' ' LEU . 3.7 mt -113.02 139.74 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HA ' HD13 ' A' ' 95' ' ' ILE . 55.4 mt-30 -94.98 138.38 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' ASP . 5.7 tttt -71.51 87.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 1.6 t70 -50.18 -177.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.9 p -42.43 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -112.03 -47.99 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -57.97 -11.26 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . 52.83 -126.4 32.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.45 -4.82 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.19 49.72 58.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.594 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -143.71 144.71 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -131.68 136.33 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.9 m -103.3 150.5 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -140.62 153.7 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.4 -153.42 18.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 157.75 7.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -17.64 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.31 -23.78 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.46 60.69 44.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 79.95 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.6 t-80 -43.95 -40.79 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' GLU . 3.3 t80 -33.87 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 9.5 pt-20 -33.86 -44.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -60.54 -53.82 52.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.22 20.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.56 130.62 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.394 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 p -98.85 46.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -124.36 113.78 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 32' ' ' VAL . 44.7 mm -47.41 140.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -143.29 154.03 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.594 HD12 ' HB ' ' A' ' 30' ' ' ILE . 32.7 mm -80.85 109.13 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 6.8 t -99.42 16.9 21.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 15.3 m-20 -163.96 120.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' A' ' 59' ' ' ALA . 82.5 t -127.93 93.88 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.744 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.23 106.26 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.75 4.22 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -143.19 17.22 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.744 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.74 -152.94 9.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -53.3 -48.25 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -42.53 91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.89 -53.74 0.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 20' ' ' LEU . 38.1 mt -63.47 -56.96 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 20' ' ' LEU . 82.9 mt -119.87 167.0 12.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' ' NH1' ' A' ' 102' ' ' ARG . 15.0 mt-30 -132.87 178.32 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.21 149.44 38.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 64.85 30.85 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.47 92.08 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -42.01 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 100' ' ' VAL . 13.7 t -77.3 125.42 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t -106.59 -57.4 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 2.9 ttp -129.98 145.46 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.3 t -134.93 103.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 64.06 28.49 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.23 22.35 35.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 m -125.92 127.77 24.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.657 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.8 mmt -95.54 15.0 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.5 123.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 65.3 41.71 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.553 ' HB ' ' CD1' ' A' ' 84' ' ' PHE . 11.3 m -116.51 172.2 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.16 149.29 23.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.0 t60 -51.65 -35.12 40.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -77.59 -24.28 49.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.553 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 54.2 t80 -75.48 -45.18 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -62.37 -46.98 86.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.057 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.4 p -66.11 -37.92 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -58.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -46.74 -42.97 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.76 -54.68 44.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.68 -19.48 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -81.41 -37.58 27.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 t -58.23 138.27 56.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.83 -82.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -124.62 -36.51 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' GLN . 40.5 mm -113.74 130.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.81 148.43 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.22 127.01 53.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.514 HD12 HD12 ' A' ' 20' ' ' LEU . 35.8 mt -125.54 136.24 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.78 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -108.63 162.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 41.8 pttt -127.83 124.58 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.415 HH21 ' CB ' ' A' ' 16' ' ' TYR . 39.9 mtm180 -112.74 129.39 24.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.72 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 126.78 13.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -105.23 77.22 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -49.03 133.3 18.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 10' ' ' GLU . 1.4 p -88.89 133.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -164.61 138.4 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 m -99.02 143.24 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.34 135.84 5.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.89 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.04 149.41 47.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.2 t -77.9 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.61 -128.21 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 124.88 11.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m -83.18 -54.45 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.2 m -44.48 136.88 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.425 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -120.66 -44.99 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 p -64.06 125.49 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 -66.69 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -97.07 -48.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -96.31 -68.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.58 173.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -94.13 159.1 15.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -72.46 178.04 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.72 170.76 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 105' ' ' LYS . 13.4 p -154.48 141.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.98 103.47 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.483 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 70.8 m95 -79.09 106.39 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -94.93 145.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.9 133.06 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.8 m-85 -115.31 110.8 19.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.0 m -98.03 100.08 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.32 144.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.41 130.34 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.891 HD23 HD12 ' A' ' 62' ' ' LEU . 5.9 mt -108.16 139.42 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 58.5 mt-30 -97.51 128.17 44.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE3' ' CZ ' ' A' ' 28' ' ' PHE . 5.4 ttmt -59.71 85.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.06 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.5 m -38.47 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -112.76 -50.26 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . 3.0 mmp_? -47.61 -26.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 -79.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 25.0 m-85 -117.42 4.22 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 34.82 48.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.6 pt -136.61 150.86 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.088 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -135.1 141.11 45.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.55 143.41 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -135.43 152.49 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.66 -143.55 15.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.19 140.07 4.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -65.37 -8.48 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.75 -27.93 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -134.02 59.97 41.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 81.55 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.508 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -45.26 -41.66 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -28.72 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 41' ' ' PHE . 4.4 tp10 -31.39 -45.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -58.5 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.8 76.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 47.7 tt0 -133.56 80.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.6 p -38.75 -38.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 m -46.01 105.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 85' ' ' ALA . 22.5 mm -41.55 143.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -147.3 146.11 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 30' ' ' ILE . 10.0 mm -80.1 104.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -96.02 18.55 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t70 -164.19 124.59 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' LEU . 71.7 t -133.99 93.79 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 56' ' ' GLY . 0.7 OUTLIER -37.51 106.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.7 Cg_endo -69.8 4.72 2.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.332 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.518 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -138.73 10.64 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.481 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -111.34 -159.91 16.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.57 23.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.379 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -69.41 -41.98 75.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -45.79 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 122.25 -48.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.891 HD12 HD23 ' A' ' 20' ' ' LEU . 97.8 mt -66.38 -54.55 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 20' ' ' LEU . 20.6 mt -114.68 175.67 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 7.5 pt20 -142.01 170.89 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.67 147.01 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 68' ' ' ARG . 35.4 m-80 68.25 33.59 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' OD1' ' CG ' ' A' ' 64' ' ' GLN . 25.5 m-20 -88.46 99.89 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.5 ' CZ ' ' O ' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -52.76 96.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 77' ' ' MET . 12.5 t -67.73 122.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.43 -53.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttm -135.19 153.05 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 79.6 t -141.8 105.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 60.82 25.02 14.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.48 23.07 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 m -127.19 126.76 24.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.703 . . . . 0.0 111.182 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.58 8.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.0 mmt -100.61 19.14 17.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.14 119.21 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 t0 66.05 42.19 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.13 173.11 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -82.69 143.81 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -50.01 -36.29 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -75.29 -26.16 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.08 -39.95 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -63.44 -48.54 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -64.85 -37.98 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.9 tp60 -40.72 -58.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -49.03 -39.98 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.0 mt -60.12 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 15.3 ptm180 -67.22 -28.68 68.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -75.44 -28.43 59.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -61.2 129.05 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.28 -73.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -129.12 -44.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 32.4 mm -106.45 128.62 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.65 128.24 52.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.57 118.74 33.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 100' ' ' VAL . 66.8 mt -119.18 124.6 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -103.77 99.36 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 98' ' ' ILE . 5.0 m -106.28 168.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -133.57 135.25 44.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' NE2' ' A' ' 64' ' ' GLN . 32.1 mtt180 -123.13 141.52 36.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.483 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.78 121.08 7.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 105' ' ' LYS . 22.2 ttt-85 -110.43 69.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 11' ' ' VAL . 27.6 mtmt -35.89 148.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.6 t -71.39 134.02 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -138.06 125.1 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.6 m -106.54 157.19 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.69 112.96 4.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.46 3.09 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 112' ' ' SER . 2.6 pt? -39.35 143.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' LEU . 54.2 m -34.52 125.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.14 176.86 39.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.43 14.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 62.32 41.5 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -83.38 114.06 21.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -93.75 133.31 37.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -89.96 134.31 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -101.51 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 55.69 44.65 26.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -92.78 154.04 18.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.53 114.06 3.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mtt -141.34 110.66 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.741 0.305 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -50.07 174.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -111.43 176.74 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.569 HG11 ' NE1' ' A' ' 13' ' ' TRP . 2.2 t -143.53 130.67 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 mt -115.51 99.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' NE1' HG11 ' A' ' 11' ' ' VAL . 74.7 m95 -78.47 102.51 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.64 142.24 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -93.23 147.55 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -132.31 111.06 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -98.0 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.9 m -122.64 146.22 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -104.48 131.15 52.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.875 HD23 ' CD1' ' A' ' 62' ' ' LEU . 3.8 mt -108.9 158.25 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 35.6 mt-30 -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.617 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.92 91.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 7.7 t70 -56.54 174.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.8 p -54.58 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -110.85 -18.16 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 mmp_? -112.64 61.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -25.11 -91.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 9.7 m-85 -100.87 4.95 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.08 53.63 1.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.5 pt -144.03 147.7 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -133.42 131.13 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.14 146.06 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -131.55 128.37 39.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.94 -148.47 20.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.05 116.78 1.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -47.38 -24.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.73 -27.9 9.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -134.71 68.8 72.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 81.88 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.506 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -43.52 -42.89 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -29.74 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.2 mp0 -30.95 -48.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.02 -56.75 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.0 80.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 3.1 tp10 -134.18 120.37 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -87.22 51.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -135.8 122.1 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.96 107.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -121.2 147.83 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.582 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -84.0 103.73 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.0 t -97.16 17.84 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.809 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.7 m-20 -162.59 120.97 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 54' ' ' LEU . 57.1 t -131.91 93.78 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.9 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.33 113.09 0.4 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.56 18.88 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.39 10.69 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.9 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -104.19 -164.7 24.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -26.3 27.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -71.7 -33.9 69.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -52.37 88.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.32 -48.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.875 ' CD1' HD23 ' A' ' 20' ' ' LEU . 98.8 mt -66.8 -48.13 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' CD1' HD11 ' A' ' 20' ' ' LEU . 63.4 mt -120.41 169.83 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -136.14 177.15 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.2 tt0 -81.65 140.33 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 10.3 m-80 71.25 36.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.726 ' OD2' HG11 ' A' ' 100' ' ' VAL . 34.0 p-10 -91.32 82.85 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 66' ' ' ASN . 1.2 mpp_? -42.17 96.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 100' ' ' VAL . 62.8 t -64.92 149.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 t -125.41 -44.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttm -143.12 149.37 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 77' ' ' MET . 95.7 t -142.13 106.63 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 60.75 26.78 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.73 30.55 11.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -134.7 126.08 17.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.89 8.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.234 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.475 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -99.77 18.71 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -93.77 125.67 38.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 61.34 43.67 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.28 166.29 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.8 146.39 33.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -47.97 -45.79 31.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 t -61.55 -35.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.05 -43.49 95.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.23 77.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.9 p -65.36 -42.57 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' VAL . 3.5 tp60 -36.63 -59.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -48.41 -38.31 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 27.0 mt -63.27 -53.44 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 10.8 ptm180 -64.73 -29.01 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.71 -34.62 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 t -57.74 133.22 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.24 -69.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -133.36 -43.13 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.8 mm -106.78 137.79 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.48 137.33 49.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 109.84 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.9 133.59 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.67 98.97 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.726 HG11 ' OD2' ' A' ' 67' ' ' ASP . 13.9 m -104.81 165.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -129.22 132.7 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -121.99 127.73 25.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.84 127.27 14.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -106.82 82.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -56.81 146.97 24.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.0 106.38 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -136.37 135.54 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.6 m -87.45 134.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -49.59 143.87 10.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.85 16.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 tp -81.81 124.51 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 82.8 p -52.62 165.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.85 118.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.89 16.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 86.8 p -128.88 93.72 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -149.93 114.7 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -169.0 158.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -53.88 118.16 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -121.64 76.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 46.1 m -36.29 117.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.868 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -103.61 135.73 44.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.35 69.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 ttp -168.99 148.73 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.41 164.67 15.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -130.33 170.76 13.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 105' ' ' LYS . 7.7 p -151.85 138.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 mt -94.46 103.53 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.471 ' CD1' HG13 ' A' ' 11' ' ' VAL . 77.6 m95 -80.52 103.11 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -94.97 135.9 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -93.7 132.22 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 102' ' ' ARG . 1.7 m-85 -114.9 109.15 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -95.38 97.9 10.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -120.51 159.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -116.59 131.53 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 28' ' ' PHE . 3.7 mt -106.63 145.83 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 62.6 mt-30 -102.53 129.63 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CE ' ' CZ ' ' A' ' 28' ' ' PHE . 5.8 ttmt -62.0 90.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 12.1 t0 -57.95 -176.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -57.75 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -109.81 -11.61 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' O ' ' C ' ' A' ' 27' ' ' GLY . 25.9 mmt180 -114.07 51.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -16.49 -94.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.657 ' HB3' HD13 ' A' ' 20' ' ' LEU . 8.0 m-85 -96.06 8.42 43.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.32 48.25 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.627 ' HB ' HD12 ' A' ' 50' ' ' ILE . 3.2 pt -140.79 141.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -126.66 130.52 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' A' ' 48' ' ' ILE . 8.7 m -98.43 148.46 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -138.13 147.32 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.8 -162.49 13.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.55 145.16 4.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -62.2 -10.49 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -122.96 -25.49 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -131.16 60.39 52.59 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 83.28 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 41' ' ' PHE . 4.3 t-80 -48.45 -43.44 34.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -33.25 101.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.1 pt-20 -34.5 -42.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -59.9 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 121.02 12.1 6.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 4.2 tp10 -72.06 117.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.1 p -85.62 49.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.8 p -119.95 125.66 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' HB ' ' A' ' 32' ' ' VAL . 26.7 mm -62.7 102.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -112.24 144.76 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.627 HD12 ' HB ' ' A' ' 30' ' ' ILE . 20.9 mm -74.41 104.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -95.75 19.74 10.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 29.3 t70 -164.37 120.04 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.8 t -135.02 93.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 9.3 tp -40.26 111.62 0.77 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' ASP . 53.2 Cg_endo -69.8 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.315 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -125.3 17.85 6.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -157.76 10.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -44.29 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -56.54 -43.22 79.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -43.39 92.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.78 -50.69 0.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 18' ' ' VAL . 37.9 mt -68.27 -36.97 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 20' ' ' LEU . 80.1 mt -136.41 162.82 31.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' CG ' HH12 ' A' ' 102' ' ' ARG . 27.0 mt-30 -131.95 177.35 7.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.2 tt0 -75.34 141.39 43.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 72.03 35.41 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 6.1 m-20 -86.39 84.72 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.0 mpt_? -37.84 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG12 ' HG3' ' A' ' 77' ' ' MET . 58.8 t -68.49 124.77 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.33 -54.74 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.2 ttm -134.11 153.49 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 77' ' ' MET . 96.5 t -143.68 105.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 62.64 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.92 24.09 23.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.463 HG22 ' CE ' ' A' ' 77' ' ' MET . 86.1 m -126.7 130.6 23.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 121.73 8.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.695 ' HG3' HG23 ' A' ' 72' ' ' VAL . 16.4 mmt -103.09 17.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -93.09 126.72 38.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 59.85 46.65 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.09 170.45 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -81.13 149.57 29.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.69 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.9 t60 -55.05 -35.97 65.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -72.65 -25.87 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -75.42 -41.67 55.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.41 83.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.33 -36.84 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 1.4 tp-100 -42.75 -57.78 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -49.08 -39.21 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.26 -50.65 72.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 1.9 ptm85 -68.97 -26.24 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -71.9 -38.17 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -53.31 145.5 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.06 -73.88 0.97 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -127.85 -44.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 20.9 mm -111.12 125.64 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.82 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -117.89 113.54 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.43 HG22 HG13 ' A' ' 100' ' ' VAL . 66.6 mt -115.14 128.09 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.95 99.73 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.43 HG13 HG22 ' A' ' 98' ' ' ILE . 17.9 m -107.75 166.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -131.64 123.56 28.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -102.77 127.84 29.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.86 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.223 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -111.36 83.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 11' ' ' VAL . 76.6 mttt -52.39 140.76 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 90.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -119.76 159.91 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.3 m -124.32 161.77 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.77 132.55 93.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -175.87 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.654 HD23 ' N ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -136.14 115.98 13.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.0 m -131.09 164.36 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -98.59 174.98 28.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 173.09 11.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.4 m -143.49 169.65 17.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 m -39.53 -50.79 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -65.01 151.37 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 p -103.91 -57.07 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.4 -161.78 25.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -92.9 135.47 34.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 -80.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -97.57 172.35 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -68.38 179.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.02 -176.88 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' N ' ' A' ' 105' ' ' LYS . 12.0 p -156.76 141.53 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 8.1 mt -99.2 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 66.0 m95 -78.93 105.85 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -95.13 143.13 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 9.2 mt-30 -93.84 156.03 16.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 17.4 m-85 -141.93 110.12 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -93.88 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -124.32 147.48 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -106.74 131.82 53.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.879 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.1 mt -108.93 159.24 16.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mt-30 -115.8 132.0 56.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.0 89.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.0 t0 -55.0 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 m -50.31 -71.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -35.76 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' O ' ' C ' ' A' ' 27' ' ' GLY . 74.9 mmt-85 -85.55 39.28 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.662 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -2.05 -104.32 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 5.2 m-85 -84.87 1.82 45.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ARG . . . 44.24 55.49 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.825 ' HB ' HD12 ' A' ' 50' ' ' ILE . 1.1 pt -144.62 148.78 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -131.74 139.3 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 82' ' ' HIS . 14.7 m -105.74 142.88 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 143.7 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.32 -158.42 21.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.31 170.18 22.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 37' ' ' ASP . 13.3 ptm180 -63.4 -39.86 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 7.9 m-20 -98.54 -13.42 20.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.68 58.89 39.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 79.68 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -48.08 -43.24 30.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -35.89 98.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.5 pt-20 -33.63 -35.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' PHE . 7.0 m120 -63.93 -58.06 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.11 31.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.58 116.18 25.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -84.93 46.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -126.08 116.43 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.603 HG13 ' HB2' ' A' ' 85' ' ' ALA . 50.6 mm -50.16 135.88 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -138.36 149.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.825 HD12 ' HB ' ' A' ' 30' ' ' ILE . 17.8 mm -82.5 98.93 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -88.93 19.99 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t70 -162.58 122.68 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.0 t -134.98 94.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.737 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.6 tp -38.76 112.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.39 14.73 6.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.737 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -112.33 -161.08 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -34.8 13.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -65.01 -37.3 87.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -48.75 89.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 125.02 -51.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.879 ' CD1' HD23 ' A' ' 20' ' ' LEU . 51.8 mt -63.97 -49.57 72.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.379 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 20' ' ' LEU . 67.8 mt -119.56 171.57 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -138.03 167.2 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.45 134.8 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 72.62 37.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' OD2' HG11 ' A' ' 100' ' ' VAL . 43.4 p-10 -83.79 84.85 7.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 3.8 mpt_? -36.24 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 77' ' ' MET . 90.7 t -70.91 141.29 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.94 -54.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttm -136.47 151.55 49.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.7 t -141.87 107.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 58.85 25.78 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.97 24.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.504 HG22 ' CE ' ' A' ' 77' ' ' MET . 89.6 m -125.18 126.79 25.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.95 10.6 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.526 ' HG3' HG23 ' A' ' 72' ' ' VAL . 10.7 mmt -105.17 14.78 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.15 118.67 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 66.81 44.35 2.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.88 164.6 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.3 mt -77.89 141.01 39.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.583 ' CE1' HG23 ' A' ' 32' ' ' VAL . 1.5 t60 -42.27 -47.5 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -56.8 -44.12 81.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.1 -35.71 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.603 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -68.5 -52.85 27.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.08 -38.89 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 3.0 tp60 -40.37 -58.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -49.47 -41.18 39.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 mt -59.53 -52.74 64.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 7.4 ptm180 -65.19 -30.62 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -71.12 -30.52 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 t -62.53 130.51 45.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.09 -83.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -124.33 -36.28 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 30.2 mm -113.09 134.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.33 151.1 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.24 107.64 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.512 HG23 HG22 ' A' ' 72' ' ' VAL . 59.4 mt -110.21 142.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 t -118.51 98.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG11 ' OD2' ' A' ' 67' ' ' ASP . 20.1 m -100.09 -177.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -147.18 130.92 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 137.66 20.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 112.93 3.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.634 2.222 . . . . 0.0 112.389 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 6.7 ttt85 -106.83 81.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.661 ' N ' HG23 ' A' ' 11' ' ' VAL . 11.6 mttp -45.17 140.24 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 106' ' ' VAL . 7.8 p -73.62 118.36 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -167.94 177.45 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.01 174.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 110' ' ' PRO . . . -97.66 155.77 36.83 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 53.9 Cg_endo -69.69 143.85 52.48 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 17.3 tp -93.6 105.62 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.4 p -44.5 147.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.47 152.94 22.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 161.58 45.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p -121.04 127.72 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.8 t -88.0 -50.31 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -124.85 168.64 12.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -75.02 117.03 16.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -172.17 131.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -73.83 114.21 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.21 -74.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -58.35 174.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.58 177.17 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -113.85 179.31 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.52 HG23 ' HA ' ' A' ' 105' ' ' LYS . 14.4 p -151.28 143.85 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -103.46 103.34 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -78.82 109.06 12.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.8 135.02 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -94.55 137.98 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -124.51 111.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -98.06 103.95 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.704 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -127.38 155.47 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.58 133.4 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.769 HD23 HD12 ' A' ' 62' ' ' LEU . 3.3 mt -110.02 149.94 29.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HA ' HD13 ' A' ' 95' ' ' ILE . 71.7 mt-30 -103.7 124.03 48.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.02 91.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 11.2 t70 -61.51 174.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 m -45.62 -64.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -111.73 -40.13 4.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' GLY . 9.2 mpt_? -85.95 49.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.602 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -15.94 -73.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' HB3' HD13 ' A' ' 20' ' ' LEU . 13.8 m-85 -113.06 10.71 18.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 35.59 57.05 0.97 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.61 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.0 pt -145.68 143.67 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -125.94 124.57 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 82' ' ' HIS . 25.3 m -96.03 152.1 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -147.29 141.15 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.61 -152.88 17.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 152.73 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -64.8 -20.36 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.4 -21.28 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -133.4 57.62 27.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.711 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 89.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.0 t-80 -59.8 -40.79 89.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' GLU . 1.9 t80 -31.15 104.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.6 tt0 -29.6 -53.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -53.74 -60.74 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.61 29.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.84 131.16 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.9 p -100.41 49.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.421 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.0 m -130.5 168.77 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.727 HG13 ' HB2' ' A' ' 85' ' ' ALA . 30.3 mm -99.77 110.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.33 150.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.61 HD12 ' HB ' ' A' ' 30' ' ' ILE . 15.1 mm -84.01 103.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -94.15 18.08 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.7 t0 -163.76 123.77 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' LEU . 65.9 t -135.02 93.54 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.948 HD23 ' HA3' ' A' ' 57' ' ' GLY . 6.8 tp -32.13 115.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.7 Cg_endo -69.69 -10.52 28.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.65 35.17 2.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.948 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -128.86 -158.47 9.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.82 11.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -67.7 -37.45 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -49.21 90.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 123.48 -51.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.769 HD12 HD23 ' A' ' 20' ' ' LEU . 94.4 mt -66.8 -44.62 80.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.56 HD12 HD11 ' A' ' 20' ' ' LEU . 66.7 mt -125.92 165.77 18.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 15.4 mt-30 -137.94 163.35 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.88 141.32 58.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 74.93 27.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.518 ' HB3' HG21 ' A' ' 100' ' ' VAL . 7.4 m-20 -80.13 76.93 6.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -35.94 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 77' ' ' MET . 48.4 t -67.81 129.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -111.0 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 ttm -134.19 153.12 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 77' ' ' MET . 98.4 t -138.78 104.96 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 55.01 35.03 23.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.19 22.76 40.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 88' ' ' GLN . 22.4 m -122.56 124.24 26.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 125.2 11.9 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.391 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 69' ' ' VAL . 6.8 mmt -108.52 15.19 24.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.12 122.9 35.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 64.75 43.96 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.03 174.87 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.6 142.75 28.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.7 t60 -47.97 -40.28 21.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.8 p -67.19 -32.69 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -67.73 -39.59 84.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.727 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.33 -46.29 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.95 -41.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -40.38 -58.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.1 mm-40 -49.84 -41.19 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.06 -53.04 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -66.66 -22.65 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.81 -34.44 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.413 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -56.23 124.35 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.59 -80.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -130.71 -49.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 21' ' ' GLN . 30.3 mm -103.34 133.64 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -130.93 152.51 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.16 104.94 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.6 mt -102.87 137.25 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 t -112.29 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.518 HG21 ' HB3' ' A' ' 67' ' ' ASP . 3.8 m -106.25 154.41 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -122.97 124.44 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -106.56 134.87 19.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 115.52 4.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' LYS . 13.0 ttt180 -104.05 70.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HA ' HG23 ' A' ' 11' ' ' VAL . 1.3 mtmp? -34.04 134.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 106' ' ' VAL . 8.1 p -68.17 110.33 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -97.79 154.86 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.2 m -78.74 159.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.59 24.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.56 67.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.389 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.41 147.99 26.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.9 p -107.33 156.15 19.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.98 159.26 23.47 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 94.2 p -144.92 141.78 29.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 90.0 p -87.12 -44.85 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -81.09 -47.01 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t 58.45 34.3 23.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.71 -87.47 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -117.98 126.97 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p -166.79 130.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.93 -157.37 28.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.8 121.76 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.727 0.299 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -132.04 91.95 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -135.85 172.19 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 105' ' ' LYS . 10.9 p -148.17 142.63 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.17 105.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.402 ' CZ2' ' HB3' ' A' ' 103' ' ' PRO . 71.0 m95 -82.09 105.13 12.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.59 139.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -93.8 135.14 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 102' ' ' ARG . 5.5 m-85 -120.92 110.61 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -103.55 99.27 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.9 m -117.35 156.3 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.82 128.74 55.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.642 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.6 mt -106.99 151.06 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' GLY . 70.4 mt-30 -105.51 125.83 51.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -59.05 92.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 18.5 t70 -63.47 169.18 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -39.33 -66.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -111.57 -42.21 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HG2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -82.41 47.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.612 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -14.67 -71.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.469 ' HB3' HD13 ' A' ' 20' ' ' LEU . 14.2 m-85 -114.74 5.35 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.8 49.21 3.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.625 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -139.85 156.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.62 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 82' ' ' HIS . 30.2 m -104.53 150.92 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -143.04 141.11 31.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.5 -151.3 17.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.15 141.16 3.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB3' ' C ' ' A' ' 79' ' ' ASP . 6.0 ptm180 -55.63 -13.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.7 -20.52 7.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -132.75 58.56 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 79.89 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.377 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.1 t-80 -42.21 -45.67 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -33.12 100.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 43' ' ' ASN . 2.8 pp20? -34.03 -53.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 42' ' ' GLU . 16.4 t30 -56.68 -57.64 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.42 76.82 0.25 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -131.67 80.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.1 p -42.11 -38.1 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -40.7 112.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 85' ' ' ALA . 45.9 mm -52.91 126.59 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -126.09 152.23 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.6 mm -85.57 103.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -94.47 19.01 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 30.8 t0 -162.36 122.21 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.4 t -135.0 93.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.652 HD22 ' HG2' ' A' ' 26' ' ' ARG . 6.8 tp -37.07 114.16 0.65 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.61 21.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.356 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.86 30.73 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.608 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -125.95 -161.62 11.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.72 -33.38 16.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.276 . . . . 0.0 112.361 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -69.58 -36.33 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -48.77 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.69 -46.36 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.937 ' O ' HG21 ' A' ' 18' ' ' VAL . 34.8 mt -71.33 -35.11 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.506 ' CD1' HD11 ' A' ' 20' ' ' LEU . 74.4 mt -133.04 165.82 23.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -135.82 167.82 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.0 144.98 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 65.41 34.91 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' ARG . 52.0 p-10 -83.27 82.44 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.1 mpt_? -34.21 96.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ASP . 60.0 t -70.66 127.29 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.6 t -108.11 -57.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.8 ttm -132.89 153.8 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 86.3 t -139.82 104.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 58.96 30.59 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.65 22.86 32.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.411 HG22 ' CE ' ' A' ' 77' ' ' MET . 30.4 m -125.76 127.51 24.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 124.8 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.6 mmt -106.72 16.15 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.67 121.94 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.41 ' C ' ' HB3' ' A' ' 36' ' ' ARG . 7.9 t0 66.22 45.21 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.401 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.5 m -123.48 166.95 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.34 147.6 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.864 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.8 t60 -50.82 -36.15 35.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -70.13 -32.13 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.0 t80 -71.89 -41.65 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -65.29 -50.02 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.1 p -62.86 -38.29 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.456 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -42.79 -57.2 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -50.18 -40.44 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.73 -48.84 73.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 11.9 ptp180 -71.21 -20.95 62.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -80.16 -42.74 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 t -45.86 126.13 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.17 -75.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -130.93 -46.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 38.7 mm -105.95 138.35 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.0 154.27 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.74 104.44 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 72' ' ' VAL . 63.6 mt -102.61 135.42 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.7 t -110.18 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -105.16 168.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -135.81 120.91 18.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 16' ' ' TYR . 10.5 mtt180 -105.32 131.48 21.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.77 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.489 ' C ' HG23 ' A' ' 11' ' ' VAL . 10.3 ttp85 -107.06 91.51 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.527 ' N ' HG23 ' A' ' 11' ' ' VAL . 37.5 mttp -60.84 137.7 58.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.3 112.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -144.64 176.88 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.1 159.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.42 133.4 24.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -174.59 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.0 tp -80.4 142.43 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.0 m -44.23 125.69 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.34 169.96 36.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.21 39.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.751 2.3 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.9 p -110.08 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -41.86 148.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -88.16 177.36 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -120.0 -47.12 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.24 99.64 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -164.91 109.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -112.33 161.41 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.14 -43.1 1.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtt -49.35 162.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.66 166.41 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -139.89 171.14 14.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.635 HG23 ' N ' ' A' ' 105' ' ' LYS . 9.8 p -158.75 143.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -102.12 103.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -78.62 106.74 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.94 142.11 27.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -94.03 138.13 32.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -124.28 108.27 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 m -95.24 98.58 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -118.27 148.08 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.631 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -105.75 132.85 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.676 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.6 mt -107.57 149.48 27.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 95' ' ' ILE . 49.8 mt-30 -112.83 124.4 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HG3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -56.48 96.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 8.7 t0 -51.31 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.4 m -42.27 -76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -111.98 -57.93 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -44.08 -38.74 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.493 ' CA ' ' HG3' ' A' ' 22' ' ' LYS . . . 79.77 -141.61 23.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -50.06 -18.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.59 52.56 44.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 59' ' ' ALA . 14.1 pt -142.68 158.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -144.74 133.11 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 48' ' ' ILE . 14.4 m -103.03 150.25 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -140.17 144.58 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.63 -179.62 20.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.47 157.95 16.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -68.28 -13.78 62.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.21 -27.64 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.83 58.82 41.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.84 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.5 t-80 -53.53 -37.02 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -32.6 106.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -32.49 -53.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -59.27 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 125.44 21.53 2.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.422 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.08 111.37 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.6 p -82.38 46.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.5 m -128.56 124.58 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.466 HG23 ' HB ' ' A' ' 32' ' ' VAL . 34.7 mm -56.54 126.58 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -131.37 154.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' A' ' 30' ' ' ILE . 4.9 mm -86.38 98.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -89.33 13.81 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 21.3 t70 -156.42 125.48 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.502 HG13 ' HB1' ' A' ' 59' ' ' ALA . 53.3 t -135.05 93.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.956 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.2 tp -33.51 112.09 0.39 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.42 13.3 5.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.956 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -111.11 -159.28 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -37.74 8.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -57.29 -46.12 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -48.13 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 127.09 -52.2 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 20' ' ' LEU . 68.3 mt -67.84 -46.76 70.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 20' ' ' LEU . 79.3 mt -124.99 167.28 14.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -130.37 179.68 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.18 144.87 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.75 40.07 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.972 ' OD2' HG21 ' A' ' 100' ' ' VAL . 11.0 t0 -89.54 90.35 8.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 7.5 mpt_? -37.35 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 t -78.02 131.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.34 -58.51 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 9.3 ttp -130.01 147.4 51.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.523 HG23 ' HG3' ' A' ' 77' ' ' MET . 69.4 t -135.29 104.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 64.19 27.93 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.1 26.15 24.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.7 m -130.11 126.84 22.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 72' ' ' VAL . 8.6 mmt -95.41 13.57 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.88 125.51 34.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 t70 65.35 42.04 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -122.78 170.56 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.01 153.05 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.787 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.9 t60 -54.62 -39.04 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -67.57 -29.15 68.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -74.12 -41.86 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.84 -46.67 80.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.2 p -67.39 -36.1 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -43.45 -57.14 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -48.35 -42.25 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.32 -54.19 49.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.7 ptm85 -65.37 -26.04 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -74.6 -40.95 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -53.68 153.51 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.35 -90.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -112.07 -37.41 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 21' ' ' GLN . 46.0 mm -115.11 133.48 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.58 138.8 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.55 132.12 47.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.5 136.87 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.9 t -113.45 98.85 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.972 HG21 ' OD2' ' A' ' 67' ' ' ASP . 33.9 m -100.88 169.66 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -138.01 118.07 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -105.96 135.99 19.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.73 18.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' LYS . 16.8 ttt180 -110.86 60.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.635 ' N ' HG23 ' A' ' 11' ' ' VAL . 14.2 mtmt -34.45 141.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.53 90.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 105' ' ' LYS . 27.7 mt-30 -82.08 145.51 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.52 155.31 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -45.92 132.93 6.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 111' ' ' LEU . 53.5 Cg_endo -69.78 -177.29 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 111' ' ' LEU . 3.6 pp 32.77 44.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 t -73.03 127.14 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.01 -123.96 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.36 11.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.8 p -120.54 175.88 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.9 m -101.77 130.52 48.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.523 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -135.93 160.85 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -171.18 176.7 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.95 145.67 16.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -164.69 169.4 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -173.16 156.95 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.49 93.22 1.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttt -139.85 143.22 36.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.82 153.51 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG12 ' A' ' 106' ' ' VAL . 20.8 mt-10 -133.0 171.9 13.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 105' ' ' LYS . 11.1 p -141.4 140.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.39 105.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 53.3 m95 -78.83 113.13 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' HG3' ' NE ' ' A' ' 104' ' ' ARG . 15.1 mm-40 -99.3 143.18 29.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -93.97 148.36 22.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -132.57 119.64 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -104.86 100.03 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.4 m -118.93 142.62 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.83 131.06 53.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.4 mt -107.06 142.84 36.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 41.3 mt-30 -99.08 131.65 44.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -64.85 89.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.49 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 9.3 t70 -55.44 166.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.0 p -44.56 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -110.03 -21.59 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.8 mmt180 -106.49 58.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -24.41 -90.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 30' ' ' ILE . 9.6 m-85 -101.6 6.04 41.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 32.89 50.7 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 7.6 pt -141.62 165.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.27 142.46 26.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' HB ' HG23 ' A' ' 48' ' ' ILE . 9.1 m -110.07 149.2 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 m -144.59 133.71 22.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.92 176.63 15.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.23 170.92 35.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -72.34 -12.69 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.85 -27.64 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -133.61 66.26 73.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.58 ' HB3' HG22 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 80.95 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -37.18 -54.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.847 ' CE2' HG21 ' A' ' 49' ' ' VAL . 1.6 m-85 -32.75 117.26 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -55.81 -28.24 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -70.35 -26.71 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.71 20.9 8.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 14.1 tt0 -77.1 125.75 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 39' ' ' PRO . 33.8 p -101.96 50.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -119.54 132.96 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.831 HG12 ' HB2' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -65.38 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.847 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.85 152.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.439 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.0 mm -84.53 106.88 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.438 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 3.5 t -96.86 17.53 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 3.7 m-20 -162.14 121.89 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 59' ' ' ALA . 45.4 t -134.45 94.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.986 HD23 ' HA3' ' A' ' 57' ' ' GLY . 9.5 tp -33.76 106.75 0.28 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 53.8 Cg_endo -69.73 0.16 6.02 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.55 9.62 3.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.986 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -110.58 -156.89 15.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.86 19.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -65.61 -45.33 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -46.18 89.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.49 -52.91 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.536 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.863 ' CD1' HD23 ' A' ' 20' ' ' LEU . 84.3 mt -63.89 -51.1 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 20' ' ' LEU . 18.5 mt -119.92 174.99 6.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -141.87 169.14 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.16 145.59 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 66.02 37.88 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.504 ' OD2' HG11 ' A' ' 100' ' ' VAL . 31.5 p-10 -91.91 91.07 7.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -45.18 100.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 48' ' ' ILE . 12.7 t -76.17 126.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 t -103.61 -47.47 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.7 ttm -137.75 148.54 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 98' ' ' ILE . 68.1 t -141.98 109.92 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 59.76 27.6 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.46 26.9 24.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -132.98 130.05 21.31 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.549 0.69 . . . . 0.0 111.159 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 127.98 15.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.404 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' HG23 ' A' ' 72' ' ' VAL . 11.3 mmt -106.29 22.38 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -96.26 124.57 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.9 41.07 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 13.2 m -114.94 171.32 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.8 147.01 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.427 ' CE1' HG23 ' A' ' 32' ' ' VAL . 17.1 t60 -49.62 -41.68 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -69.28 -29.0 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.424 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 85.4 t80 -69.82 -44.66 69.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.831 ' HB2' HG12 ' A' ' 48' ' ' ILE . . . -62.73 -47.94 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 82' ' ' HIS . 4.6 p -64.7 -42.92 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' VAL . 2.5 tp60 -38.72 -58.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -46.63 -40.38 12.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.24 -54.57 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -65.98 -15.84 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -85.13 -31.0 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -63.62 133.68 54.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.84 -87.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -114.6 -48.01 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 21.0 mm -101.88 128.85 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.08 143.51 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.0 121.42 44.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 72' ' ' VAL . 40.6 mt -127.49 126.76 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.76 98.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.535 HG21 ' NH2' ' A' ' 102' ' ' ARG . 29.5 m -99.06 174.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -139.35 133.39 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.535 ' NH2' HG21 ' A' ' 100' ' ' VAL . 10.8 mtt-85 -122.72 138.68 29.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.74 122.22 8.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.451 ' NE ' ' HG3' ' A' ' 14' ' ' GLU . 7.8 ttm180 -109.53 73.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 11' ' ' VAL . 24.2 mttm -34.15 141.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 106' ' ' VAL . 7.5 p -81.34 69.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.14 161.81 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.18 132.79 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' A' ' 110' ' ' PRO . . . -101.47 113.21 65.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 109' ' ' ALA . 53.7 Cg_endo -69.81 -174.74 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.275 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.1 mt -101.22 132.57 46.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -110.51 -176.5 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.58 127.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -168.32 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.4 t -104.64 118.54 36.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -83.34 59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -42.68 104.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -147.04 138.05 23.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.91 63.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -116.83 108.65 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -55.07 126.51 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.94 -76.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -144.67 158.67 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 54.68 42.48 31.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 106' ' ' VAL . 6.9 mm-40 -126.84 178.56 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.844 HG23 ' CA ' ' A' ' 105' ' ' LYS . 6.4 p -149.57 135.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -109.77 105.93 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 103' ' ' PRO . 63.0 m95 -78.94 106.17 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.99 134.83 35.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -93.37 140.06 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.23 112.19 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -101.42 101.74 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -118.36 153.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.13 128.74 55.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.867 HD23 ' CD1' ' A' ' 62' ' ' LEU . 2.7 mt -109.61 154.04 23.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 66.7 mt-30 -107.67 137.6 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.595 ' HE2' ' CZ ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -72.09 92.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 15.6 t0 -56.21 -175.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -66.29 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -14.01 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' ' C ' ' A' ' 27' ' ' GLY . 27.4 mmt180 -121.85 64.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.525 ' HA2' ' N ' ' A' ' 23' ' ' ASP . . . -26.89 -93.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CZ ' ' HE2' ' A' ' 22' ' ' LYS . 18.1 m-85 -95.28 10.92 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.8 59.12 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.641 ' HB ' HD12 ' A' ' 50' ' ' ILE . 5.8 pt -147.57 158.81 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.749 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -143.42 128.45 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 82' ' ' HIS . 18.3 m -96.95 144.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -134.14 141.14 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.75 -158.91 14.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.15 144.44 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -45.11 -34.98 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.94 -14.29 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -133.25 60.69 50.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 79.91 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' ' C ' ' A' ' 41' ' ' PHE . 6.8 t-80 -45.86 -41.59 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.5 t80 -31.41 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.5 tt0 -31.98 -45.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.01 -66.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.84 71.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -123.76 114.35 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -81.6 54.0 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 m -132.67 121.94 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG13 ' HB2' ' A' ' 85' ' ' ALA . 43.5 mm -58.53 120.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.43 150.04 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.641 HD12 ' HB ' ' A' ' 30' ' ' ILE . 21.0 mm -82.98 105.33 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.454 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 1.3 t -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 2.3 m-20 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.5 t -130.84 94.53 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.029 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.0 tp -32.31 109.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.74 21.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.03 31.42 2.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 1.029 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -129.96 -158.99 9.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -31.73 19.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -66.88 -43.89 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -48.75 92.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 126.56 -51.6 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.867 ' CD1' HD23 ' A' ' 20' ' ' LEU . 62.7 mt -69.02 -49.82 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 20' ' ' LEU . 28.9 mt -119.05 170.65 8.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -141.66 169.61 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 138.6 54.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 73.88 31.61 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ARG . 49.7 p-10 -83.67 78.81 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -34.89 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.8 t -75.78 130.93 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -109.72 -51.58 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.37 152.83 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 77' ' ' MET . 89.6 t -142.27 104.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 60.61 29.1 18.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.81 23.5 30.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.407 HG21 ' NE2' ' A' ' 88' ' ' GLN . 28.0 m -127.08 126.94 24.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.04 11.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.8 mmt -106.48 14.8 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.11 123.98 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 63.32 46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.41 168.18 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.71 144.71 30.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.528 ' CE1' HG23 ' A' ' 32' ' ' VAL . 3.1 t60 -44.88 -48.26 11.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.0 p -55.96 -42.8 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.43 -38.06 85.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -66.63 -56.07 12.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' HIS . 3.2 p -60.71 -35.42 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -42.7 -58.26 2.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.407 ' NE2' HG21 ' A' ' 75' ' ' THR . 77.6 mm-40 -50.55 -40.94 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.84 -53.55 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 6.9 ptm180 -63.12 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -70.07 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.1 t -51.86 130.98 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.54 -80.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -122.89 -37.72 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 40.2 mm -113.94 141.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 92' ' ' SER . . . -136.98 134.68 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.68 122.16 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 65.7 mt -118.71 141.5 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.75 98.8 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -98.99 -176.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -153.18 122.7 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -113.09 123.82 32.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 118.4 5.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 3.5 ttm180 -93.21 43.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.844 ' CA ' HG23 ' A' ' 11' ' ' VAL . 16.9 ttpt -36.17 145.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 10' ' ' GLU . 1.4 p -97.94 112.14 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -133.04 153.07 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.54 142.88 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -164.75 148.24 7.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.529 0.68 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 160.38 49.93 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 pp -100.88 146.47 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -118.91 154.77 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 114' ' ' PRO . . . 176.97 116.26 0.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.406 ' HD2' ' HA2' ' A' ' 113' ' ' GLY . 53.1 Cg_endo -69.77 161.73 44.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.755 2.303 . . . . 0.0 112.313 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.4 p -137.21 151.57 48.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLY . 1.9 t -136.24 158.96 43.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -131.44 132.06 44.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.374 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -153.29 155.31 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.93 104.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -163.71 172.55 14.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -139.43 154.29 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.2 -97.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -151.9 163.17 39.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -40.16 146.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.82 177.04 5.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.533 HG11 ' NE1' ' A' ' 13' ' ' TRP . 2.2 t -135.57 127.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 mt -111.78 99.21 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 80.0 m95 -78.06 101.95 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -96.01 144.66 26.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.29 148.72 21.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -134.71 107.92 7.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -88.14 98.97 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.27 146.67 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -103.09 129.57 49.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 62' ' ' LEU . 4.0 mt -108.11 143.83 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG2' HD12 ' A' ' 95' ' ' ILE . 78.7 mt-30 -109.26 125.19 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -55.71 101.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -52.53 -177.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 m -41.48 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -111.98 -57.08 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -41.01 -46.37 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.21 -129.69 9.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.57 -4.77 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.42 55.22 6.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.61 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 20.1 pt -149.11 162.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -148.8 146.68 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.664 ' HB ' HG23 ' A' ' 48' ' ' ILE . 18.7 m -115.42 152.12 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.58 145.16 28.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.556 ' O ' HD13 ' A' ' 48' ' ' ILE . . . 83.59 106.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' CD1' ' A' ' 48' ' ' ILE . . . -111.34 -156.77 14.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -89.43 -8.61 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 25.5 m-20 -121.75 -28.19 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -127.55 57.21 23.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.86 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' C ' ' ND1' ' A' ' 40' ' ' HIS . 1.3 t-80 -49.57 -35.33 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' GLU . 2.0 t80 -33.93 109.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' PHE . 1.3 pp20? -33.1 -54.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.67 -74.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.92 32.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' OE1' ' NE ' ' A' ' 68' ' ' ARG . 8.8 tt0 -77.47 113.2 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -91.61 47.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.523 ' CB ' ' HD2' ' A' ' 68' ' ' ARG . 18.1 m -123.17 99.21 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.664 HG23 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mm -34.02 102.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.64 145.64 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.3 mm -81.49 106.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -100.18 17.85 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.837 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 5.5 m-20 -157.08 115.85 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 54' ' ' LEU . 41.8 t -131.3 93.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.766 HD23 ' CA ' ' A' ' 57' ' ' GLY . 4.0 tp -33.5 122.09 0.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.8 24.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.98 23.08 2.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.766 ' CA ' HD23 ' A' ' 54' ' ' LEU . . . -107.56 -164.47 21.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -31.02 21.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.317 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -88.16 6.46 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 2.2 p-10 -80.04 42.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.87 -28.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 20' ' ' LEU . 69.4 mt -80.73 -46.09 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.55 171.74 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.421 ' CD ' ' HD3' ' A' ' 102' ' ' ARG . 7.3 pt20 -134.76 169.15 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.37 149.01 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 62.63 31.19 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.822 ' OD2' HG21 ' A' ' 100' ' ' VAL . 7.6 t0 -91.0 116.58 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 10.3 mmt85 -65.95 109.85 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 77' ' ' MET . 61.4 t -77.44 127.59 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.91 -55.09 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttm -132.26 154.49 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' MET . 77.0 t -145.38 105.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 61.42 25.39 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.7 26.62 16.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.602 HG21 ' NE2' ' A' ' 88' ' ' GLN . 91.5 m -129.11 128.81 23.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.602 ' HG3' HG23 ' A' ' 72' ' ' VAL . 9.3 mmt -100.33 11.37 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -87.88 121.77 30.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 t0 67.01 44.85 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.59 171.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 37' ' ' ASP . 44.5 mt -83.57 139.75 32.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.468 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 1.5 t60 -45.4 -32.82 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 m -73.98 -37.07 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.58 -40.65 89.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -60.07 -50.71 72.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' GLN . 2.6 p -62.36 -42.04 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER -35.91 -63.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.602 ' NE2' HG21 ' A' ' 75' ' ' THR . 93.0 mm-40 -37.47 -39.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.69 -56.03 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 2.5 ptm180 -60.92 -40.4 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -58.9 -61.81 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 1.9 t -37.89 138.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.09 -74.01 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -132.91 -35.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' HG2' ' A' ' 21' ' ' GLN . 35.7 mm -111.85 134.14 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.44 145.59 51.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.91 92.64 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.2 mt -93.64 134.74 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.35 98.73 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.822 HG21 ' OD2' ' A' ' 67' ' ' ASP . 27.8 m -100.73 176.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 68' ' ' ARG . 35.7 pttt -139.46 120.68 14.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.421 ' HD3' ' CD ' ' A' ' 64' ' ' GLN . 18.0 mtt180 -110.83 134.84 20.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.8 137.1 34.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -114.62 64.13 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -40.45 148.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.5 t -89.26 128.53 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -169.77 174.68 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -93.99 145.09 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 129.65 34.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.98 67.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 111' ' ' LEU . 4.2 pp -49.76 158.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.9 t -140.46 121.68 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.03 39.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.34 19.15 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -85.34 154.68 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -104.93 151.05 24.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -104.08 178.2 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -156.48 175.31 14.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.4 119.3 3.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 36.7 m -107.46 -41.15 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.846 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 49.6 m -34.52 150.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.6 154.4 10.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptm -175.02 137.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -149.11 171.76 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -104.58 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 105' ' ' LYS . 11.9 p -148.76 147.3 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.2 mt -107.99 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -79.15 104.88 10.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.8 149.88 21.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 7.7 mt-30 -93.84 158.75 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 15' ' ' GLN . 16.2 m-85 -140.47 107.61 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -96.83 99.94 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.43 160.93 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.9 133.19 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.83 HD23 ' CD1' ' A' ' 62' ' ' LEU . 5.3 mt -111.26 143.04 42.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 68.7 mt-30 -101.37 134.34 44.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -65.58 91.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.73 -179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 m -39.01 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' GLY . 38.7 mmtt -111.87 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' LYS . 41.1 mmt-85 -34.24 -35.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 78.95 -117.65 4.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 30' ' ' ILE . 35.2 m-85 -81.73 10.06 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.94 45.78 1.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.1 pt -144.49 150.24 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -138.04 135.61 36.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.575 ' HB ' HG23 ' A' ' 48' ' ' ILE . 15.8 m -96.44 157.24 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.1 p -143.8 165.62 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.21 -153.72 36.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.85 165.57 13.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.96 -26.51 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -106.93 -19.68 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.71 57.73 30.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 79.54 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -89.17 74.41 8.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -134.88 25.74 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 39.87 24.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' PHE . 9.3 t30 -134.95 -45.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.3 28.94 3.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 127.75 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 p -97.64 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 162.25 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.776 HG13 ' HB2' ' A' ' 85' ' ' ALA . 33.0 mm -99.52 118.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.461 ' CG1' ' HD3' ' A' ' 68' ' ' ARG . 1.5 m -117.93 168.29 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 30' ' ' ILE . 22.9 mm -92.75 106.69 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 p -97.58 15.49 23.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 9.2 t70 -160.96 122.55 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' LEU . 87.3 t -132.27 93.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.004 HD23 ' HA3' ' A' ' 57' ' ' GLY . 7.7 tp -35.26 109.85 0.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.6 26.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.13 31.27 2.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 1.004 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -130.46 -155.09 8.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 62' ' ' LEU . 53.6 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' GLY . . . -53.85 -52.4 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -38.5 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 121.26 -49.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.83 ' CD1' HD23 ' A' ' 20' ' ' LEU . 15.3 mt -69.65 -52.39 26.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 20' ' ' LEU . 25.6 mt -116.74 169.82 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.429 ' CG ' ' OD1' ' A' ' 67' ' ' ASP . 5.2 pt20 -140.04 161.34 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 2.4 tt0 -66.22 138.67 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.444 ' O ' ' NH1' ' A' ' 68' ' ' ARG . 2.1 m120 74.98 38.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 100' ' ' VAL . 26.3 m-20 -98.1 93.16 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -41.8 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.654 HG12 ' HG3' ' A' ' 77' ' ' MET . 43.0 t -68.46 106.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -82.67 -62.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.507 ' HG2' ' N ' ' A' ' 72' ' ' VAL . 14.9 ttp -127.37 150.08 49.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.6 t -136.79 105.21 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 61.21 29.48 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.75 29.41 18.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.436 HG21 ' NE2' ' A' ' 88' ' ' GLN . 41.9 m -131.66 127.3 21.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.654 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.9 mmt -99.91 15.42 27.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.65 120.16 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 t0 69.1 43.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.521 ' HB ' ' CD2' ' A' ' 84' ' ' PHE . 16.6 m -119.24 175.0 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' PHE . 93.4 mt -91.15 144.52 25.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -42.91 -45.58 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.5 p -64.6 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.521 ' CD2' ' HB ' ' A' ' 80' ' ' VAL . 86.9 t80 -64.43 -40.17 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.776 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -64.52 -50.75 66.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.96 -36.67 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.99 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.436 ' NE2' HG21 ' A' ' 75' ' ' THR . 79.2 mm-40 -52.17 -38.99 59.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.19 -55.18 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.2 ptm85 -60.88 -33.78 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.86 -50.75 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -46.06 134.83 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.17 -85.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -122.94 -37.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.402 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 39.9 mm -107.35 137.42 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.26 147.34 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.13 136.15 50.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.457 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -130.11 136.98 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.35 99.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 69' ' ' VAL . 31.2 m -109.39 160.86 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -125.27 119.37 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -106.21 139.71 20.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.629 0.728 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.15 4.91 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 105' ' ' LYS . 11.3 ttt85 -109.69 74.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HA ' HG23 ' A' ' 11' ' ' VAL . 21.2 mttm -34.45 136.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.511 HG12 HG13 ' A' ' 108' ' ' VAL . 24.0 t -57.69 142.25 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -101.33 85.32 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.511 HG13 HG12 ' A' ' 106' ' ' VAL . 13.9 m -126.87 162.98 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' VAL . . . -34.3 142.87 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.74 20.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.44 98.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 t -66.25 85.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -177.79 -148.7 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' SER . 53.6 Cg_endo -69.74 1.63 4.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' PRO . 42.7 t -36.98 140.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -89.16 111.56 22.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -87.31 115.53 24.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -137.2 124.56 21.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -52.84 0.11 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -133.44 134.08 43.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.809 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 p -127.22 148.77 50.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.14 56.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.32 165.71 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.31 162.38 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -140.06 -176.01 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 105' ' ' LYS . 13.0 p -155.27 141.03 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.406 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 16.6 mt -101.65 103.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 59.3 m95 -78.71 104.44 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.03 141.7 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.86 136.52 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.88 108.8 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 m -96.54 98.0 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 62' ' ' LEU . 3.9 m -118.75 156.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.77 124.93 51.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 62' ' ' LEU . 7.0 mt -99.49 147.85 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 95' ' ' ILE . 62.4 mt-30 -112.43 128.14 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -58.59 115.71 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' SER . 5.2 t70 -84.24 -178.55 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 62.2 m -38.59 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -112.21 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 54' ' ' LEU . 32.7 mmt180 -44.76 -42.72 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 -90.23 1.36 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -108.08 4.83 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 39.29 51.19 2.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.585 ' HB ' HD12 ' A' ' 50' ' ' ILE . 6.5 pt -143.39 148.22 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.842 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . . . -136.51 125.72 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 29.5 m -99.5 154.74 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -144.53 141.32 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.68 -146.41 17.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.51 131.56 3.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -48.11 -19.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -110.13 -22.9 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 18.5 t30 -131.03 60.43 53.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 80.48 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' PHE . 3.7 t-80 -48.93 -37.67 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -35.2 99.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 41' ' ' PHE . 6.5 pt-20 -31.41 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' PHE . 25.2 t-20 -62.41 -60.03 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.05 30.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.74 126.01 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.4 p -86.07 48.23 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.3 m -115.67 143.06 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.48 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 14.1 mm -84.9 111.78 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -117.37 157.2 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.2 mm -86.56 105.79 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 3.1 t -95.65 16.98 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.842 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 6.3 m-20 -163.43 120.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' LEU . 55.9 t -128.58 93.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -34.22 116.61 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.79 2.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.31 20.43 1.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' N ' HD22 ' A' ' 54' ' ' LEU . . . -108.97 -165.28 20.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.668 ' O ' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.79 -24.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 53' ' ' VAL . . . -95.34 8.92 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.7 p-10 -82.45 42.91 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.15 -32.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 58' ' ' PRO . 13.6 mt -77.97 -36.84 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.62 161.62 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 10.1 pt20 -131.86 166.15 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.0 tt0 -58.75 144.84 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 70.94 30.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.597 ' HB3' HG11 ' A' ' 100' ' ' VAL . 9.8 m-20 -79.12 70.49 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.51 ' NH2' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -32.19 94.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HG3' ' A' ' 77' ' ' MET . 38.5 t -67.65 121.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -101.88 -54.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 ttm -133.08 148.38 52.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 ' HG3' ' A' ' 77' ' ' MET . 74.3 t -138.36 104.92 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 60.45 28.9 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.55 24.78 27.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.433 HG21 ' NE2' ' A' ' 88' ' ' GLN . 25.6 m -127.15 126.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.89 5.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 69' ' ' VAL . 10.7 mmt -98.82 13.39 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -92.96 122.49 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t0 67.34 42.18 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -121.12 166.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.2 146.52 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.3 t60 -49.87 -45.29 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -71.14 -37.44 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -67.11 -49.38 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 82' ' ' HIS . 2.3 p -66.04 -36.09 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HA ' ' CG ' ' A' ' 90' ' ' ARG . 2.0 tp60 -43.58 -57.71 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' NE2' HG21 ' A' ' 75' ' ' THR . 76.1 mm-40 -50.73 -37.34 41.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 mt -68.15 -49.49 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 10.9 ptp180 -69.99 -19.31 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -81.21 -45.53 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -47.66 138.43 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.29 -73.02 0.61 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -133.78 -44.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 21' ' ' GLN . 27.0 mm -108.22 129.64 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.24 151.26 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.74 110.58 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.14 139.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.66 98.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 67' ' ' ASP . 6.0 m -106.87 165.22 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -107.25 135.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' HG23 ' A' ' 11' ' ' VAL . 7.2 ttt85 -99.86 82.41 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 11' ' ' VAL . 16.6 mttm -51.24 135.01 26.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.6 t -66.6 75.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -151.52 165.03 35.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.92 154.97 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.68 147.08 54.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 156.47 63.06 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 111' ' ' LEU . 4.2 pp -76.45 173.82 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.5 t -147.35 168.24 22.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -122.98 -176.13 14.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 118.06 5.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.6 p -122.61 142.96 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.7 t -140.35 156.21 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -111.89 148.26 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -58.94 146.3 38.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.14 151.19 27.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -129.65 -53.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -92.91 110.52 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.32 38.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 mtm -71.7 163.94 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.727 0.298 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 54.3 34.53 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.0 -178.8 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG12 ' CD1' ' A' ' 13' ' ' TRP . 2.4 t -151.76 137.28 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mt -114.19 98.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 103' ' ' PRO . 77.5 m95 -78.57 101.96 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 101' ' ' LYS . 10.5 mt-10 -95.24 142.02 28.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -92.67 134.23 35.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.16 123.07 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.6 m -105.61 97.7 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 62' ' ' LEU . 2.5 m -123.84 152.49 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -110.64 132.73 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.853 HD23 HD12 ' A' ' 62' ' ' LEU . 4.7 mt -107.25 147.31 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HG2' ' CD1' ' A' ' 95' ' ' ILE . 55.5 mt-30 -105.49 131.77 52.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -66.01 86.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.486 ' N ' ' HA2' ' A' ' 27' ' ' GLY . 2.8 t70 -55.5 164.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.6 p -35.63 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -29.93 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.641 ' O ' ' C ' ' A' ' 27' ' ' GLY . 33.3 mmt180 -90.36 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 26' ' ' ARG . . . -12.92 -95.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.02 4.01 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 36.37 58.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 50' ' ' ILE . 2.2 pt -147.45 153.62 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.715 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . . . -134.74 121.55 20.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 HD13 ' A' ' 50' ' ' ILE . 34.6 m -98.28 155.35 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -146.48 148.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -151.28 19.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.24 125.92 2.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 11.6 ptm180 -55.2 -17.1 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 -27.89 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -132.6 64.78 72.75 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 41' ' ' PHE . 7.0 t-80 -50.13 -43.39 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 40' ' ' HIS . 2.2 t80 -30.87 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 41' ' ' PHE . 2.4 tt0 -31.21 -57.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -54.04 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.69 73.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' THR . 22.5 tt0 -134.99 83.31 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 36' ' ' ARG . 72.3 p -32.93 -41.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -38.99 130.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.27 140.84 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.15 140.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 30' ' ' ILE . 25.2 mm -78.34 97.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -87.67 20.23 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 31.4 t0 -164.19 122.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG13 ' HB1' ' A' ' 59' ' ' ALA . 72.0 t -134.43 93.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.549 HD23 ' HA3' ' A' ' 57' ' ' GLY . 8.6 tp -38.37 114.77 0.81 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.656 0.741 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.19 34.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.22 16.95 8.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' HD23 ' A' ' 54' ' ' LEU . . . -114.47 -163.02 14.38 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.04 24.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 53' ' ' VAL . . . -71.2 -31.9 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.48 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.64 -53.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 20' ' ' LEU . 94.5 mt -63.43 -44.48 94.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.524 HD22 ' OD2' ' A' ' 67' ' ' ASP . 87.4 mt -130.27 169.84 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 3.1 pt20 -135.95 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 3.5 tt0 -66.34 146.82 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.66 40.81 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.547 ' OD2' HG21 ' A' ' 100' ' ' VAL . 2.4 m-20 -80.53 91.27 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG12 ' HG3' ' A' ' 77' ' ' MET . 36.2 t -62.38 122.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.07 -50.47 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttm -136.5 150.68 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.521 HG22 HG23 ' A' ' 98' ' ' ILE . 47.8 t -137.54 108.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 53.05 32.48 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.74 25.57 29.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.4 m -127.23 128.75 24.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.76 10.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.642 ' HG3' HG12 ' A' ' 69' ' ' VAL . 9.8 mmt -104.84 11.38 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.88 122.91 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.1 44.81 4.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.4 m -122.0 162.42 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.11 148.11 46.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.87 -27.41 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 t -77.38 -35.93 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.25 -44.54 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.33 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 89' ' ' LEU . 5.4 p -68.28 -43.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 86' ' ' VAL . 12.6 tt0 -40.06 -51.09 2.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.2 -33.12 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' VAL . 43.6 mt -70.6 -47.84 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 2.5 ptm85 -67.86 -15.32 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -85.01 -38.2 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -53.39 123.38 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.18 -76.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -131.49 -36.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 35.6 mm -111.6 132.17 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -129.24 140.71 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.1 110.2 21.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.521 HG23 HG22 ' A' ' 72' ' ' VAL . 54.9 mt -113.88 134.17 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.46 99.9 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.547 HG21 ' OD2' ' A' ' 67' ' ' ASP . 18.8 m -107.68 165.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 24.6 pttt -132.04 123.16 26.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.435 HH11 ' CG ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -103.32 127.3 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.827 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 115.72 4.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -99.43 86.25 3.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.7 160.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.2 129.4 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -147.52 -179.02 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.29 133.02 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.64 153.09 8.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.595 0.712 . . . . 0.0 111.063 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.98 58.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 112' ' ' SER . 6.2 tt -60.5 139.06 57.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.792 ' N ' HD23 ' A' ' 111' ' ' LEU . 3.7 t -162.44 126.09 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.96 -102.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.35 30.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -161.7 158.08 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.1 p 46.32 45.24 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -88.86 143.06 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.398 . . . . 0.0 110.793 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 66.71 42.27 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.1 150.68 8.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.72 135.46 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m 48.81 43.03 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.57 77.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -114.23 170.06 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.704 0.288 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 10' ' ' GLU . 38.7 tt0 -175.03 156.67 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' HG12 ' A' ' 106' ' ' VAL . 5.7 mm-40 -146.56 179.28 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 105' ' ' LYS . 14.4 p -142.31 146.75 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mt -104.76 101.66 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -78.93 102.87 8.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -93.98 139.71 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.58 130.1 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-85 -117.67 109.92 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.2 m -101.14 98.54 8.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.621 HG21 ' O ' ' A' ' 62' ' ' LEU . 1.7 m -114.7 148.55 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.31 129.99 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 62' ' ' LEU . 6.8 mt -110.66 147.52 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.11 151.09 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -81.49 93.45 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -56.67 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -44.32 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' ARG . 38.6 mmtt -112.25 -57.68 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' LYS . 29.9 mmt-85 -32.69 -39.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 83.98 -100.76 2.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' ILE . 42.1 m-85 -106.46 10.6 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 36.06 50.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 28' ' ' PHE . 4.5 pt -147.6 142.94 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.763 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . . . -134.24 133.38 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 18.9 m -97.4 154.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.2 p -132.57 172.53 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.45 -165.25 54.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.57 143.97 3.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -51.78 -34.45 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.06 -27.6 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -134.96 69.47 70.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 41' ' ' PHE . 5.0 t-80 -43.07 -48.67 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' C ' ' O ' ' A' ' 40' ' ' HIS . 1.7 t80 -31.11 100.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 43' ' ' ASN . 8.1 pt-20 -35.09 -41.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 24.0 t30 -60.76 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.69 109.61 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.0 p -76.09 47.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.4 m -118.22 129.21 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.479 HG13 ' HB2' ' A' ' 85' ' ' ALA . 39.6 mm -70.28 113.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.25 157.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.1 105.34 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.3 t -99.49 24.27 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.763 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 18.2 t0 -164.4 121.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' LEU . 54.3 t -134.91 93.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.76 HD13 ' HA3' ' A' ' 57' ' ' GLY . 0.7 OUTLIER -34.96 106.83 0.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 54' ' ' LEU . 54.1 Cg_endo -69.75 4.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' H ' HD22 ' A' ' 54' ' ' LEU . . . -145.68 19.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.76 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -119.64 -156.57 10.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -37.07 9.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG23 ' A' ' 30' ' ' ILE . . . -61.1 -50.67 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.17 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 120.76 -49.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.855 ' CD1' HD23 ' A' ' 20' ' ' LEU . 78.0 mt -69.55 -49.42 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.793 HD12 HD11 ' A' ' 20' ' ' LEU . 32.8 mt -118.08 169.57 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -139.68 158.53 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.77 150.53 41.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.77 35.57 13.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.5 m-20 -91.62 84.97 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -37.4 100.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.705 HG12 ' HG3' ' A' ' 77' ' ' MET . 39.4 t -73.5 112.85 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -90.95 -55.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' HA2' ' A' ' 74' ' ' GLY . 11.1 ttm -133.79 147.76 51.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.589 HG23 ' HG3' ' A' ' 77' ' ' MET . 65.6 t -135.26 101.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 8.6 m-20 60.11 37.41 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' SD ' ' A' ' 71' ' ' MET . . . 84.44 21.12 57.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.543 HG21 ' CD ' ' A' ' 88' ' ' GLN . 91.1 m -123.18 126.24 25.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.625 2.217 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.705 ' HG3' HG12 ' A' ' 69' ' ' VAL . 7.2 mmt -106.8 19.47 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 5.1 pt-20 -97.39 113.23 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t0 72.65 44.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -118.3 169.34 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.06 150.46 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -50.54 -40.25 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.8 t -68.09 -33.27 74.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.17 -49.0 76.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 48' ' ' ILE . . . -53.43 -50.22 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' LEU . 2.8 p -69.52 -41.97 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' A' ' 91' ' ' LYS . 4.7 tt0 -39.53 -45.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.543 ' CD ' HG21 ' A' ' 75' ' ' THR . 85.7 mm-40 -64.28 -38.28 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' VAL . 77.5 mt -65.88 -53.43 39.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -62.97 -20.93 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 16.9 mtpt -77.36 -28.88 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -63.57 153.87 34.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.55 -66.22 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -132.03 -41.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.8 145.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.72 140.57 31.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASN . . . -108.8 123.41 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.42 HG22 HG13 ' A' ' 100' ' ' VAL . 51.8 mt -122.86 133.06 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.24 98.99 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 69' ' ' VAL . 25.5 m -105.68 168.52 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -133.45 123.32 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -107.15 133.87 20.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -105.96 77.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.473 ' N ' HG23 ' A' ' 11' ' ' VAL . 36.4 mtmt -38.64 137.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 10' ' ' GLU . 4.0 p -79.46 125.69 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -154.96 170.1 22.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.1 m -45.44 129.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 114.53 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.558 0.694 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.03 51.2 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.71 93.46 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.6 p -94.76 157.95 15.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.42 174.96 40.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.1 m -82.79 -46.13 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 70.3 m -57.82 138.64 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 stop_ save_