data_2gsb_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 2gsb _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 ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 71.6 mmtt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 tt -81.03 -25.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 30.5 p-90 -85.97 -19.23 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -79.57 147.33 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -141.82 126.94 18.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.23 -37.84 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -58.65 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 pt -73.85 -175.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -123.27 -178.43 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.08 -47.95 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -47.99 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.23 -50.26 71.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.79 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -59.31 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -60.97 -21.35 63.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.27 -55.76 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 108' ' ' VAL . 19.8 mt -57.98 -12.97 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.4 mtp -96.35 -26.61 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.6 p -105.88 -69.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.93 -24.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.27 -172.71 18.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.92 174.2 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 t -38.49 140.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.49 34.13 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 m -132.32 134.89 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -130.66 174.99 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 1.3 pp -165.21 145.6 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.15 138.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 56' ' ' TYR . 3.6 ptm85 -140.43 143.59 33.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.38 7.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.752 2.302 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' CD ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -144.2 166.27 25.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 p -149.47 129.89 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.55 138.57 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.537 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 15.5 m-85 -121.27 105.58 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -101.95 149.97 23.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -117.35 125.28 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -127.48 149.21 50.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -33.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -72.57 -65.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -166.14 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.31 130.76 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.96 -175.23 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -159.51 115.15 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -96.15 166.94 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.03 126.59 51.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.76 95.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.97 141.54 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' CD ' ' OD1' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.72 146.66 61.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -114.6 150.0 43.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.44 4.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -111.64 38.61 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 44.37 51.27 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -148.32 177.95 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -122.98 147.42 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.86 132.27 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.6 ttt -139.31 111.66 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.54 43.71 95.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.34 28.36 68.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -115.76 175.11 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -148.37 110.3 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CG ' HG12 ' A' ' 89' ' ' ILE . 69.7 m-85 -116.71 162.74 17.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.22 -46.29 88.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -163.17 167.66 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' GLY . 10.1 mt -49.7 -64.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -35.81 -40.95 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ILE . 3.0 m-20 -67.26 -56.45 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.464 HG12 ' CG ' ' A' ' 83' ' ' TYR . 60.5 mt -35.41 -42.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.5 mt -68.32 -60.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -46.13 -31.0 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -75.98 -49.71 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.414 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.7 m-85 -56.13 -30.7 62.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.03 -12.25 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.16 -30.44 6.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -120.38 112.96 19.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.669 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 4.9 pt20 -40.85 131.59 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.414 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 7.4 tt -85.01 -17.93 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.5 t -121.22 175.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -50.0 -27.45 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.91 54.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 62.6 m-85 -146.8 147.46 30.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.669 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 52.7 m-85 -127.77 151.94 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.8 mt -79.36 109.79 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -86.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.99 139.03 12.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.3 Cg_endo -69.77 175.91 7.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.453 HG21 ' CD2' ' A' ' 32' ' ' LEU . 78.1 t -89.22 133.69 34.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.89 58.41 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 31.6 mmtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.64 -33.56 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.47 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 24.2 p-90 -77.66 -19.76 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 58.2 t80 -82.12 154.9 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -151.63 111.64 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -15.31 3.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -54.41 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' CD1' ' A' ' 31' ' ' LEU . 18.4 pt -57.72 177.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -110.3 176.84 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -65.02 -29.02 69.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.36 -43.38 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -60.13 -40.12 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.92 -34.51 63.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.39 -53.18 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.9 m-20 -66.67 -41.5 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' CD1' HD11 ' A' ' 23' ' ' ILE . 19.3 mt -49.98 -58.76 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 17.0 mt -63.51 -12.54 33.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.72 -10.6 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ASN . 19.6 p -114.52 -63.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.4 -23.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.9 21.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -116.18 -175.47 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.07 -5.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -128.68 40.87 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -134.29 150.83 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CD2' HD11 ' A' ' 55' ' ' LEU . 8.6 p90 -148.48 -179.33 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 171.3 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 44' ' ' ARG . 60.8 t -128.87 138.9 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' HG12 ' A' ' 43' ' ' VAL . 1.4 mtm105 -142.99 148.63 46.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 121.55 8.25 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -128.9 162.09 28.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -140.49 152.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 41' ' ' PHE . 4.9 tp -121.53 141.39 51.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.461 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 29.9 m-85 -125.85 118.76 26.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -123.58 149.18 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -107.62 122.23 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 p -117.23 179.65 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -67.88 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -83.27 -68.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -168.51 150.72 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -51.99 125.34 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -92.93 -176.98 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -156.76 119.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.448 ' CG ' ' HE2' ' A' ' 78' ' ' MET . 79.5 m-85 -100.94 171.33 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -127.73 125.6 40.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.3 mt -109.51 122.66 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.9 t -115.25 134.12 22.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 156.59 62.82 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.328 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -132.93 151.8 78.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -105.02 41.28 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t30 40.6 45.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -141.34 -175.65 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.7 124.83 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mtp -89.11 119.82 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.448 ' HE2' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -95.77 -64.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.74 -48.5 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.65 41.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -156.59 175.22 14.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -123.88 96.91 5.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -91.72 134.76 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.4 -40.24 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.3 p -164.33 168.08 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 53.7 mt -54.89 -43.93 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.79 14.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -39.38 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.38 -32.24 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 86' ' ' ILE . 4.5 mp -71.7 -69.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -51.22 -24.74 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -75.09 -54.64 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.42 -32.49 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -39.67 -35.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -29.78 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.22 121.57 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.6 pt20 -55.7 116.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.3 tt -72.3 -18.82 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.11 176.58 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -56.14 -13.99 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -179.91 51.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 64.3 m-85 -154.96 131.3 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.516 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 96.6 m-85 -106.9 168.06 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.65 96.34 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -67.42 -65.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -156.72 143.96 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.74 175.11 8.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.286 . . . . 0.0 112.382 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.417 ' CG2' HD21 ' A' ' 32' ' ' LEU . 53.2 t -88.33 126.72 59.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 173.32 11.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mtm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.0 mmtt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.4 tt -93.83 -28.39 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 15.1 p-90 -83.99 -37.4 22.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 57.6 t80 -61.93 120.36 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.56 92.38 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.19 -7.9 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -86.67 -39.5 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 28' ' ' ALA . 1.2 pp -84.9 176.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.7 m -120.57 150.82 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 44' ' ' ARG . 45.3 tttm -33.29 -59.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -41.28 -49.51 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 3.5 mp0 -65.59 -57.02 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' CB ' HD13 ' A' ' 23' ' ' ILE . . . -34.94 -35.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 10.4 m-85 -66.1 -50.11 65.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.8 m-20 -69.22 -20.91 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.42 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.54 -12.12 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -100.29 -28.12 13.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.6 p -99.22 -72.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 36' ' ' GLY . 31.6 m -72.39 -47.46 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -80.39 169.89 52.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 38' ' ' VAL . 8.1 tt0 -156.49 174.97 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 37' ' ' GLN . 4.7 t -34.65 142.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 m 68.73 35.2 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.5 p -124.37 143.08 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -139.04 161.0 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -164.98 151.19 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 55' ' ' LEU . 11.4 t -119.11 148.99 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.7 ptm180 -151.01 142.75 15.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 127.35 14.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -149.09 149.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -140.51 123.03 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' CE1' ' A' ' 66' ' ' PHE . 12.6 tp -76.43 153.57 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -134.02 95.81 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.63 143.65 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HD2' ' CG1' ' A' ' 63' ' ' ILE . 9.4 tpt180 -110.18 131.85 54.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.4 p -133.99 165.24 25.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -48.75 -40.46 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.31 -62.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -174.72 172.54 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.412 ' CG1' ' HD2' ' A' ' 58' ' ' ARG . 95.5 mt -78.24 123.45 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -91.88 -179.45 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -150.36 126.82 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.492 ' CE1' HD21 ' A' ' 55' ' ' LEU . 8.4 m-85 -104.06 176.46 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -127.21 132.37 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.2 mt -130.0 115.39 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.55 133.73 21.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.56 51.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.6 p -123.26 143.74 41.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.567 0.699 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.87 22.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.6 16.32 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 67.48 33.73 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -140.49 173.51 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.5 121.01 31.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.5 mtp -78.79 141.78 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.41 19.19 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.32 -3.76 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.9 -15.48 0.91 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -111.21 151.18 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.99 140.57 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' ASN . 51.9 m-85 -133.41 138.43 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' TYR . 22.0 t30 -34.49 -57.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 m -169.44 164.19 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.3 mt -45.14 -51.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.13 -40.71 52.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.17 -53.36 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.401 HG12 ' CB ' ' A' ' 83' ' ' TYR . 23.7 mt -40.33 -34.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.7 mt -74.65 -46.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.59 -38.0 88.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -67.41 -33.8 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 3.1 m-85 -74.19 -28.51 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -54.13 -27.0 30.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 -15.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -125.6 120.57 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 88.7 mt-30 -50.31 114.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.51 ' HA ' ' CE1' ' A' ' 93' ' ' TYR . 9.6 tt -67.71 -24.58 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 t -115.02 -176.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.78 -20.43 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.67 52.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -142.81 142.45 31.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 48.2 m-85 -109.42 168.34 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.65 99.73 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -158.74 143.87 11.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.06 10.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -83.79 133.76 45.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.31 46.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mtm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 tt -82.57 -36.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 36.5 p-90 -74.28 -15.54 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -81.69 133.63 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -134.79 91.15 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.94 -21.34 8.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.5 -41.5 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 pt -62.18 -178.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -110.24 -175.87 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -71.72 -37.03 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.61 -51.97 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.93 -43.46 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -41.44 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.54 -41.56 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.81 -31.27 61.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.23 -59.74 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.71 -15.97 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.9 -19.92 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 p -113.55 -74.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.19 -20.9 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.84 -172.81 34.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -155.29 179.95 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 t -64.25 -6.17 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.55 26.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.72 150.68 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -139.71 173.02 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -164.55 141.35 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 44' ' ' ARG . 61.4 t -105.44 137.38 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' N ' HG11 ' A' ' 43' ' ' VAL . 7.2 ptm180 -135.73 143.35 44.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 128.42 16.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . 2.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 31.5 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.62 172.19 13.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -160.78 144.88 13.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 55' ' ' LEU . 10.2 tt -101.51 145.03 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.7 120.94 34.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -125.0 142.32 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -97.8 131.18 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.7 p -132.72 165.83 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -50.65 -42.63 56.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.98 -68.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -166.43 158.79 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.24 117.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -75.22 178.37 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -157.0 116.12 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CG ' ' HE1' ' A' ' 78' ' ' MET . 95.9 m-85 -99.36 176.82 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -138.17 127.15 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.53 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.3 m -91.3 142.85 27.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.57 68.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.4 p -126.61 147.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.174 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.96 32.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 47.75 38.2 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.75 175.74 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -119.64 140.35 50.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.8 mtp -106.68 120.27 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.508 ' HE1' ' CG ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -115.3 68.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.54 -62.05 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.47 35.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -146.36 146.73 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 132.64 48.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.522 ' CD1' HG12 ' A' ' 89' ' ' ILE . 66.2 m-85 -130.06 152.2 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.48 -48.16 73.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.434 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 71.0 mt -38.4 -46.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.47 -48.09 42.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.32 -53.87 31.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.2 mt -41.23 -43.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -58.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -46.74 -37.29 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -77.97 -37.66 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -67.78 -26.05 65.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 11.2 mtp-105 -49.29 -26.3 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 96' ' ' GLU . 10.6 ptmt -106.77 -27.21 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 95' ' ' LYS . 9.0 mp0 -100.67 115.62 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 92.5 mt-30 -50.9 114.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -69.02 -21.54 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.21 -174.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.4 39.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.55 36.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -150.43 141.44 22.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.397 . . . . 0.0 110.924 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 13.0 m-85 -114.15 172.43 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.6 mt -98.18 100.59 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -75.23 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.75 143.94 11.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.7 -177.28 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -97.29 130.79 28.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 171.62 14.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.301 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 tt -84.35 -28.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CH2' HG23 ' A' ' 86' ' ' ILE . 35.9 p-90 -88.89 -15.16 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -87.09 147.69 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -136.7 127.46 27.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.96 -28.82 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -75.3 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 31' ' ' LEU . 17.5 pt -55.24 -175.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 m -123.84 -179.47 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -58.65 -52.22 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -53.45 -59.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -40.44 -52.46 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.45 -49.45 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -54.27 -59.42 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -53.59 -43.19 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 23' ' ' ILE . 21.1 mt -56.54 -62.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.82 -12.63 4.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.44 -18.41 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 -74.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.99 -34.86 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.14 167.62 34.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -131.56 -177.63 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 17.0 t -61.56 -8.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 18.9 p -125.28 35.17 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -125.74 147.31 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -136.5 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -173.58 144.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 44' ' ' ARG . 61.6 t -104.07 160.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 14.8 ptt85 -165.03 143.02 5.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 114.96 3.88 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.855 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -128.02 169.37 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 p -159.72 130.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -84.39 148.5 26.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.72 112.5 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -119.63 152.81 36.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 19.6 tpt180 -99.9 134.8 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.6 p -128.85 154.79 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -41.77 -37.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.12 -75.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -158.86 153.48 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 64' ' ' GLN . 23.7 mt -53.04 134.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 63' ' ' ILE . 27.1 mt-30 -90.05 -176.97 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -151.79 114.4 4.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -100.92 173.42 6.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -131.04 130.91 43.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.88 101.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.0 m -95.23 141.8 23.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 149.82 67.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.5 p -127.94 148.71 68.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 0.03 6.22 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -105.83 38.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 42.19 46.75 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 83' ' ' TYR . 39.8 mt-30 -146.04 176.62 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.73 140.0 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.4 mtp -106.46 124.85 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.501 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 10.8 ttt -122.38 93.24 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.74 -62.94 2.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.49 28.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -126.02 176.03 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -131.02 120.12 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 84.3 m-85 -119.93 159.22 25.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.14 -50.44 70.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m -160.77 167.27 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.417 HG23 ' CH2' ' A' ' 18' ' ' TRP . 74.7 mt -48.2 -60.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.55 -44.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ILE . 10.5 t70 -62.73 -57.8 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 93' ' ' TYR . 72.0 mt -35.0 -45.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -58.98 -59.82 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -53.64 -55.91 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -48.15 -31.29 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.501 ' CE2' ' HE2' ' A' ' 78' ' ' MET . 5.7 m-85 -80.64 -39.28 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -46.83 -28.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -17.69 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.31 116.92 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.3 pt20 -48.48 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.9 tt -55.79 -23.18 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.72 173.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -44.54 -26.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -172.04 57.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 44.7 m-85 -153.27 143.17 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 95.8 m-85 -118.27 172.12 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.8 127.67 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 39' ' ' CYS . 27.1 mmtm -103.96 -68.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -150.02 138.78 12.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.403 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.99 128.97 32.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 149.92 67.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 109' ' ' PRO . 2.3 tp -67.71 -35.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CE3' HG21 ' A' ' 43' ' ' VAL . 62.0 p-90 -83.3 -31.79 26.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -72.19 147.17 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -148.81 105.87 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.48 -8.83 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' ILE . 14.4 pttp -82.93 -43.81 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.9 pt -72.59 -175.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -120.38 164.9 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -47.53 -59.89 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -46.27 -60.36 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -46.5 20.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.74 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -56.28 -44.89 80.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.39 -45.89 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 23' ' ' ILE . 14.0 mt -47.9 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 42' ' ' LEU . 9.2 mt -61.77 -11.65 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.418 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -94.62 -14.16 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -128.45 -72.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 m -64.7 -22.62 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.51 175.39 19.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -145.92 -175.68 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.76 -3.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.7 m -119.9 29.99 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -146.07 145.05 30.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -132.72 173.66 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -159.96 138.67 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.567 HG21 ' CE3' ' A' ' 18' ' ' TRP . 90.3 t -97.06 148.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -151.78 139.37 12.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.07 12.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -119.17 172.04 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -162.75 126.27 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.5 tt -85.77 148.06 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.412 ' N ' HD23 ' A' ' 55' ' ' LEU . 89.6 m-85 -124.99 107.62 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -118.18 147.25 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 7.8 tpt180 -98.95 136.26 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -128.98 170.01 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -54.75 -41.26 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.44 -64.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.75 164.37 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.94 124.4 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.34 178.03 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -144.79 114.99 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -101.65 156.0 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -120.07 120.67 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -113.42 118.61 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 m -109.84 142.11 25.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 165.6 30.52 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -138.25 145.28 46.6 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.09 3.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.3 17.86 21.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.88 33.44 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.36 -178.49 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.4 m-85 -128.68 131.47 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.4 mtp -97.42 122.43 40.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.72 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.27 60.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.26 26.87 54.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.84 177.55 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -131.37 131.08 43.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CD1' HG12 ' A' ' 89' ' ' ILE . 95.8 m-85 -134.2 132.5 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' TYR . 8.7 t-20 -37.3 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 32.9 t -150.02 161.7 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 86.3 mt -45.43 -48.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.19 -47.58 4.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.446 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.41 -56.68 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 83' ' ' TYR . 71.0 mt -37.06 -36.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.74 -69.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.26 -38.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -67.59 -45.01 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.94 -37.55 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -49.1 -28.91 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -99.03 -16.68 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -124.83 119.09 27.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 1.5 pt20 -44.57 115.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 tt -73.85 -24.27 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.1 t -118.45 -174.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.65 38.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.598 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 141.96 35.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 13.8 m-85 -150.23 148.37 28.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 60.0 m-85 -126.52 168.14 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.79 88.74 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -65.93 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -154.13 141.76 13.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.5 t -67.93 124.58 89.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.8 154.14 67.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.643 2.229 . . . . 0.0 112.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.702 0.287 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -82.66 -34.06 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 34.7 p-90 -78.24 -27.06 47.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 31.9 t80 -74.36 156.78 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -151.77 127.65 10.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -39.88 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -40.43 82.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 pt -68.68 -178.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 m -122.61 164.18 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -46.84 -52.86 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -39.9 -56.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -34.02 -51.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.87 -51.64 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.42 -48.64 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.55 -53.78 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.04 -16.59 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.3 -22.12 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 p -112.11 -74.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.5 m -65.75 -19.29 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.07 161.54 13.06 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -146.2 -178.05 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -40.48 140.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.6 m 67.32 40.14 2.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -127.58 137.99 52.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 90' ' ' ILE . 2.5 p90 -133.45 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 2.2 pp -159.48 147.52 17.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' CE3' ' A' ' 18' ' ' TRP . 95.9 t -108.07 140.2 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 45' ' ' PRO . 28.6 ptt85 -150.33 151.71 31.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 54.0 Cg_endo -69.75 149.27 66.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -126.85 158.53 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -147.85 130.87 16.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 tt -101.04 149.88 23.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.14 131.88 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' A' ' 59' ' ' THR . 16.7 t80 -119.29 156.49 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 33' ' ' MET . 12.9 tpt180 -117.84 131.55 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.423 HG23 ' CE2' ' A' ' 57' ' ' PHE . 44.8 p -140.87 157.97 44.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -43.96 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.13 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -168.87 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -82.19 124.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.01 177.51 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -148.41 134.51 19.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.01 164.47 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 122.99 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt -112.83 108.35 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.8 m -99.17 142.14 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.7 41.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.8 p -137.67 144.55 45.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -13.23 34.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -87.58 22.31 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.407 ' C ' ' HG2' ' A' ' 75' ' ' GLN . 71.6 m-20 57.48 49.77 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.407 ' HG2' ' C ' ' A' ' 74' ' ' ASN . 6.7 mm100 -145.85 -176.23 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -130.82 131.21 44.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.4 mtp -104.58 127.14 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 ttt -120.86 -56.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.37 46.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.41 85.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.6 161.33 21.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.32 120.16 40.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CG ' HG12 ' A' ' 89' ' ' ILE . 2.9 m-85 -114.24 165.03 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.49 -51.5 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -167.26 160.17 13.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.1 mt -40.91 -51.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.57 -55.17 5.41 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ILE . 26.0 t0 -57.65 -57.7 11.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.511 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.9 mt -36.96 -49.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.474 HG22 ' CZ ' ' A' ' 41' ' ' PHE . 29.4 mt -57.57 -61.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.442 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 26.8 t70 -51.48 -56.98 10.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -49.45 -29.22 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.443 ' CE2' HG22 ' A' ' 89' ' ' ILE . 2.6 m-85 -78.97 -31.85 45.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 91' ' ' ASP . 24.7 mmt180 -41.93 -43.37 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -19.19 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -102.32 116.18 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 71.5 mt-30 -52.93 94.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.1 tt -57.76 -16.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 57' ' ' PHE . 1.3 t -126.42 178.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -41.29 -27.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.81 48.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -134.68 136.24 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.461 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 89.9 m-85 -104.07 166.56 10.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.75 97.62 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -71.25 -63.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.92 141.59 4.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.76 174.27 9.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 109' ' ' PRO . 96.8 t -84.69 138.47 37.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.635 0.731 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.73 172.98 11.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.728 0.299 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -90.63 -32.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 31.4 p-90 -79.18 -18.51 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 88.2 t80 -81.89 157.11 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 9.9 m-70 -151.02 138.47 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 -41.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.69 -34.15 73.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 HD13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 pt -78.85 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 t -126.95 161.2 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -38.17 -64.41 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 17.4 mp0 -42.31 -53.51 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.1 -53.01 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.36 -42.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.95 -66.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -47.97 -35.37 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' A' ' 23' ' ' ILE . 12.9 mt -62.32 -53.28 57.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 10.1 mt -69.03 -3.34 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.2 mmm -102.96 -19.44 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -119.3 -74.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.65 -18.75 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.3 156.94 18.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -118.34 176.94 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.1 t -65.03 -6.9 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.34 35.32 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.84 141.42 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -130.7 -177.74 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 pp -165.42 163.46 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 128.63 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -131.05 143.85 51.12 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.87 10.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -139.7 152.3 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.0 m -138.18 135.03 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -96.16 143.82 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 46.5 m-85 -131.52 109.24 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -116.28 149.15 39.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -101.79 130.81 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -131.07 161.62 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -40.28 27.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -72.03 -74.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -161.88 160.99 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.24 127.64 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.9 173.11 8.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -148.75 116.83 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.04 167.79 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.08 120.22 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.1 mt -109.13 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.54 133.98 35.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.716 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.5 35.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.4 p -108.45 150.99 41.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.23 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -89.09 37.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 45.25 53.7 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -147.41 -175.03 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -134.77 134.77 41.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 mtp -99.31 116.01 30.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.41 87.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.27 59.59 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.11 27.23 59.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -136.35 134.47 37.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.12 151.69 19.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.45 ' CG ' HG12 ' A' ' 89' ' ' ILE . 57.0 m-85 -147.19 158.54 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.51 -49.74 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ILE . 4.1 m -162.9 151.51 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' SER . 57.9 mt -34.14 -62.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.14 -41.39 2.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' SER . 22.6 t70 -64.65 -53.81 41.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.45 HG12 ' CG ' ' A' ' 83' ' ' TYR . 52.5 mt -39.85 -40.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' HIS . 34.9 mt -71.22 -67.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' ILE . 1.6 m-20 -37.04 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' ILE . 71.2 t60 -73.9 -55.86 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.553 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 6.3 m-85 -55.47 -29.8 59.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -51.34 -33.04 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -105.27 -15.57 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -119.09 124.69 47.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.9 pt20 -54.11 116.08 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.553 ' HA ' ' CE1' ' A' ' 93' ' ' TYR . 13.7 tt -72.69 -24.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.08 -174.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -82.17 39.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.525 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 140.91 34.85 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 41.2 m-85 -152.42 139.61 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 65.8 m-85 -115.45 174.25 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -101.06 106.81 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -81.14 -73.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -145.27 143.5 20.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.421 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.74 166.9 26.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.54 124.04 87.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.11 62.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 51.9 mmtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.76 0.315 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 18' ' ' TRP . 16.3 tt -44.94 -43.78 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 42.6 p-90 -76.44 -38.06 56.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -64.06 122.82 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -123.13 93.12 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.87 -17.19 11.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -76.43 -55.7 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 31' ' ' LEU . 27.8 pt -51.25 -176.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -123.7 158.72 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -42.34 -56.85 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -52.31 -55.73 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -46.68 55.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.63 -39.19 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -67.25 -53.82 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -59.74 -31.8 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 23' ' ' ILE . 11.2 mt -64.57 -61.44 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.3 mt -58.0 -12.47 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.5 -19.21 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -112.65 -74.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 5.1 m -69.13 -44.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.455 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . -81.64 143.89 23.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' OG ' ' A' ' 40' ' ' SER . 12.1 mm-40 -115.11 -177.03 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -57.43 -12.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -120.03 34.15 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 37' ' ' GLN . 53.8 p -132.9 141.16 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -136.55 173.23 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 pp -163.73 144.68 8.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.17 124.05 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -123.81 140.34 34.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.72 26.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.431 ' CB ' ' CG ' ' A' ' 52' ' ' ASP . 1.8 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' CG ' ' CB ' ' A' ' 46' ' ' SER . 28.5 p30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.79 162.75 34.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -154.05 132.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 56' ' ' TYR . 10.3 tt -99.54 150.6 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.448 ' N ' HD21 ' A' ' 55' ' ' LEU . 14.4 m-85 -127.46 144.35 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -149.12 146.1 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 14.0 tpt180 -99.99 130.31 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.1 p -125.4 169.9 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.03 -31.36 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -84.45 -67.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -165.26 162.57 19.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.18 121.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -86.04 -176.55 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -152.53 125.47 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -109.52 153.24 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -110.32 135.75 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.3 mt -128.1 118.09 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.0 143.38 26.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.07 25.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.413 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 73.0 p -140.31 146.08 44.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.31 23.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -93.46 25.96 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 55.37 47.87 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.04 178.01 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -127.72 131.53 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.413 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 5.3 mtm -96.4 130.54 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -41.99 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.6 54.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.13 17.03 80.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -135.31 146.98 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -92.72 135.18 34.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASN . 43.3 m-85 -128.28 143.99 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' TYR . 24.2 m-80 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -170.91 162.01 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.413 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 25.9 mt -40.05 -54.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.4 -41.58 32.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.47 -55.78 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 77.9 mt -37.73 -41.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.94 -65.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -43.89 -44.14 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -60.95 -39.51 89.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.36 -38.17 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -47.35 -31.34 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -101.3 -20.48 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.49 119.05 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.606 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 1.1 pt20 -47.31 120.36 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.3 tt -79.71 -31.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.99 -175.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -83.4 36.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.49 33.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -150.58 142.62 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.921 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.606 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 29.0 m-85 -117.8 169.46 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.86 99.12 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -73.15 -72.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -143.6 143.92 25.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 118.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.98 6.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 61.1 mmtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 tt -66.17 -40.93 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.54 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.5 p-90 -70.03 -14.24 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 74.2 t80 -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 18.3 m-70 -150.53 124.65 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.94 -32.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -64.01 -43.39 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.2 pt -68.25 -175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 t -118.08 -174.98 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -69.67 -52.01 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -61.23 -38.66 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -48.13 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.09 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.28 -44.9 92.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' THR . 6.2 m-20 -67.57 -45.74 74.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 28.0 mt -57.82 -13.24 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -102.48 -13.82 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASN . 12.1 p -111.03 -75.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 108' ' ' VAL . 2.7 m -75.47 -36.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 37' ' ' GLN . . . -70.93 -170.68 10.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 82.8 mt-30 -159.79 -176.81 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.86 -0.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 m -132.87 42.1 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -147.64 153.42 39.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -147.35 -178.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.57 152.65 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.7 t -109.0 132.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -132.38 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.7 16.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 2.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -148.49 162.97 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -151.76 135.75 16.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.9 tp -90.45 161.89 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 27.3 m-85 -143.33 112.45 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.09 146.97 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' NH1' ' HE3' ' A' ' 33' ' ' MET . 10.0 tpt180 -100.5 144.36 29.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.4 p -141.09 172.27 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -43.63 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.09 -68.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -165.32 157.63 15.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.66 122.89 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -105.37 165.02 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -144.57 157.11 44.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -129.28 168.65 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -119.55 136.74 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.84 121.27 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.69 140.55 21.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 167.08 25.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.1 p -142.18 144.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.13 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -95.44 22.21 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 59.02 31.77 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -131.87 -176.53 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.28 139.95 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 mtp -108.56 128.64 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 ttt -128.29 100.32 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.54 -58.55 4.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.48 32.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -135.98 177.26 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -125.03 132.58 53.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -132.54 137.58 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -41.77 -49.54 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -164.98 161.09 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -47.59 -49.22 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.31 -38.64 12.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.34 -54.01 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.508 HG22 ' CE2' ' A' ' 93' ' ' TYR . 8.4 mt -37.05 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mp -64.87 -54.73 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.73 -27.22 69.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.07 -37.26 64.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 89' ' ' ILE . 10.4 m-85 -78.71 -37.65 41.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -46.9 -27.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -109.03 -11.24 14.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -123.68 117.46 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.5 pt20 -46.75 115.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.9 tt -77.14 -18.89 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.38 -174.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.63 36.29 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -151.83 139.37 19.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.51 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 53.1 m-85 -117.16 163.02 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -87.82 98.54 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -74.19 -71.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.68 136.98 11.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.35 42.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 35' ' ' VAL . 7.2 p -66.54 133.9 94.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 171.78 13.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 38.0 mmtt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.733 0.302 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.14 -30.32 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.506 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 47.0 p-90 -81.45 -28.33 34.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -78.42 132.45 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -132.07 118.56 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -29.66 1.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -41.73 98.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 pt -69.59 172.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -111.58 175.94 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' NH2' ' A' ' 44' ' ' ARG . 30.3 tttm -57.88 -53.43 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 -59.06 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.9 mt-10 -45.13 -56.1 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -35.44 -49.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.09 -46.99 82.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.8 m-20 -65.69 -41.2 92.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 mt -54.09 -65.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 11.2 mt -49.41 -18.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' NH1' ' A' ' 58' ' ' ARG . 93.2 mmm -91.1 -28.97 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.7 p -103.7 -74.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.64 -45.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.25 -170.54 30.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.49 178.57 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 14.4 p -70.75 1.16 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.7 20.69 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -133.8 158.02 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 104' ' ' LEU . 2.0 p90 -144.7 179.78 7.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 pp -166.84 158.39 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.22 133.21 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ttt-85 -138.54 140.09 26.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 45' ' ' PRO . 70.3 m-85 -147.62 174.17 12.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -161.04 143.12 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -96.83 139.21 33.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 73.6 m-85 -120.31 106.27 11.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -120.39 143.75 48.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 10.5 tpt180 -101.02 135.3 42.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' GLU . 72.8 p -119.41 150.42 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' HG22 ' A' ' 38' ' ' VAL . 18.2 p30 -33.79 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' THR . 33.7 tt0 -82.21 -74.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -149.29 -176.08 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.69 133.42 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -96.54 -178.78 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -149.5 113.64 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.21 179.01 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -131.66 137.59 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.5 mt -131.59 118.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.42 135.22 21.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.76 41.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 31.8 p -107.9 148.93 38.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.06 11.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -105.43 50.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ASN . 75.6 m-80 37.09 51.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -151.31 -175.69 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -128.99 160.52 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.464 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 37.1 mtp -118.43 118.71 32.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 84.64 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.56 61.54 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.84 38.9 60.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.22 169.32 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.4 130.23 42.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.423 ' CD1' HG12 ' A' ' 89' ' ' ILE . 91.3 m-85 -138.09 146.6 43.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.41 -48.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ILE . 3.2 m -172.88 157.85 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . 76.6 mt -34.45 -52.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.49 -45.42 17.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -64.44 -54.74 27.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.423 HG12 ' CD1' ' A' ' 83' ' ' TYR . 87.3 mt -37.07 -31.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 71.7 mt -71.47 -62.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.3 -38.35 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -64.57 -44.56 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.535 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 10.8 m-85 -68.33 -31.04 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -50.94 -36.76 40.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -99.28 -12.33 20.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -125.73 116.47 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 78.5 mt-30 -54.23 111.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.535 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 9.1 tt -61.83 -35.78 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' GLY . 1.7 t -104.76 178.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' VAL . 17.0 pt-20 -35.26 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.58 50.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.443 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 12.0 m-85 -126.47 145.91 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 28.4 m-85 -116.07 156.59 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 41' ' ' PHE . 90.7 mt -87.3 91.61 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -60.91 -69.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.81 142.08 15.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.37 62.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -54.42 122.21 36.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 162.82 40.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -68.75 -32.54 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 p-90 -84.34 -13.0 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -89.22 143.03 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -135.15 115.73 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 -20.76 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -78.61 -42.48 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 31' ' ' LEU . 32.7 pt -66.27 -175.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -126.03 173.87 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -53.34 -55.36 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -56.02 -58.83 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.18 -46.28 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.5 -35.72 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.21 -50.33 34.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -28.36 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 23' ' ' ILE . 54.9 mt -65.98 -52.5 48.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.96 -8.52 49.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -96.75 -24.13 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -115.44 -75.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.04 -20.8 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.47 -160.34 35.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -159.92 179.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.25 -7.79 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.4 m -134.86 35.71 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -111.81 142.93 43.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 104' ' ' LEU . 5.6 p90 -138.15 168.05 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 42' ' ' LEU . 4.5 pp -165.32 155.14 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.92 134.39 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.593 ' NH2' ' CE2' ' A' ' 56' ' ' TYR . 8.8 ttp85 -143.35 139.99 17.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -125.96 176.41 7.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -160.51 129.39 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -86.86 152.31 22.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 44' ' ' ARG . 17.2 m-85 -129.64 107.58 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -114.76 158.69 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -113.89 144.45 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -145.03 164.56 30.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -47.56 -44.6 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -67.14 -72.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -167.42 157.04 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -54.7 134.5 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.88 178.09 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.496 ' HD3' ' CE2' ' A' ' 56' ' ' TYR . 42.5 mtm180 -151.51 117.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD2' ' HE2' ' A' ' 78' ' ' MET . 15.9 m-85 -93.82 160.6 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -120.66 105.08 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.4 mt -99.21 115.76 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.73 134.57 19.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 p -106.73 148.98 37.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.65 36.39 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -85.85 22.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.5 t30 59.73 42.16 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.9 172.29 12.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -115.29 154.28 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.5 mtp -122.01 129.24 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.529 ' HE2' ' CD2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -140.13 105.43 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.83 47.96 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 34.2 80.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -132.81 177.27 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -131.08 145.73 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.498 ' CG ' HG12 ' A' ' 89' ' ' ILE . 68.5 m-85 -149.84 166.68 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -63.84 -47.79 79.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.1 p -174.61 160.02 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLY . 82.0 mt -39.29 -66.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.81 -52.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' ILE . 26.9 m-20 -62.48 -57.82 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.498 HG12 ' CG ' ' A' ' 83' ' ' TYR . 89.9 mt -34.67 -32.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 88' ' ' ASP . 65.3 mt -72.23 -49.35 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' ASP . 4.8 m-20 -60.71 -29.47 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -74.68 -39.16 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.442 ' CE2' HD11 ' A' ' 98' ' ' ILE . 7.3 m-85 -74.19 -36.96 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -108.62 -5.38 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -130.1 115.21 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 58.3 mt-30 -44.2 108.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.442 HD11 ' CE2' ' A' ' 93' ' ' TYR . 12.9 tt -65.22 -25.73 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -117.8 -174.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -80.72 40.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.3 37.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.447 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -147.86 134.06 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' A' ' 97' ' ' GLN . 9.3 m-85 -109.43 169.95 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 41' ' ' PHE . 33.5 mt -102.4 97.82 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -68.79 -74.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.71 143.88 17.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -179.95 3.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.385 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -98.27 127.98 34.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.31 66.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.9 mmtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.292 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.88 -41.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CE3' ' N ' ' A' ' 19' ' ' PHE . 44.7 p-90 -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' N ' ' CE3' ' A' ' 18' ' ' TRP . 23.4 t80 -71.09 123.8 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.98 81.25 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.96 -17.79 31.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -71.03 -48.64 51.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 42.8 pt -61.8 -176.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 m -125.45 176.91 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -62.01 -46.47 89.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -63.71 -56.04 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.61 -59.87 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -34.8 -53.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -49.01 -50.7 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.23 -37.57 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.19 -64.12 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.5 mt -49.68 -22.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 58' ' ' ARG . 87.6 mmm -88.22 -27.88 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -106.04 -75.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -63.41 -38.22 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.96 158.3 24.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 40' ' ' SER . 53.2 mt-30 -146.06 -175.35 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -45.63 146.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.2 m 63.39 29.4 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 11.2 t -119.94 144.44 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -145.27 170.16 16.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 pp -172.51 142.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG11 ' N ' ' A' ' 44' ' ' ARG . 90.0 t -95.17 159.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' N ' HG11 ' A' ' 43' ' ' VAL . 13.5 mtp-105 -150.51 127.92 5.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' SER . 53.9 Cg_endo -69.75 114.34 3.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' PRO . 19.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 10.4 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 52' ' ' ASP . 13.9 m-85 -143.01 165.17 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.7 m -140.7 131.46 25.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.9 tp -96.95 142.16 29.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 82.4 m-85 -126.76 118.46 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -115.22 139.24 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 21.6 tpt180 -104.73 125.26 50.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -130.6 158.72 39.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -54.17 -27.93 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -78.59 -64.54 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 23.2 p30 -170.92 154.49 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.56 122.82 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -72.01 -173.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -166.29 114.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -120.76 173.47 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -133.56 147.75 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.86 117.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.24 140.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.58 49.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.9 p -128.77 150.15 74.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.548 0.69 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.77 5.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -113.12 45.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m120 38.96 48.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -140.74 179.25 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -130.11 139.45 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.4 mtp -111.86 119.69 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.2 ttt -118.08 85.18 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.71 -65.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.1 34.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -138.01 173.27 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -125.63 133.1 52.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CD2' HG12 ' A' ' 89' ' ' ILE . 94.0 m-85 -134.4 138.86 45.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.14 -57.15 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.2 t -143.98 142.02 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 85' ' ' SER . 97.7 mt -34.04 -58.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.57 -52.87 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -54.12 -51.54 63.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.54 HG12 ' CD2' ' A' ' 83' ' ' TYR . 81.2 mt -41.07 -35.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mp -70.25 -47.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.18 -28.82 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -76.0 -56.58 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.46 ' CB ' HD13 ' A' ' 104' ' ' LEU . 7.4 m-85 -49.99 -37.78 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -49.82 -30.43 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -97.99 -28.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.23 115.53 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -50.62 114.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.427 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 13.5 tt -67.82 -18.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLU . 2.3 t -124.84 174.44 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' VAL . 14.2 pt-20 -35.08 -36.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -171.9 59.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -143.23 143.76 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.66 146.16 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 93' ' ' TYR . 64.5 mt -72.35 108.28 5.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -82.47 -67.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.97 137.78 12.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -82.65 129.84 60.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 146.18 59.45 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 110' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 42.4 mmtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.775 0.321 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -85.1 -24.75 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CH2' HG21 ' A' ' 86' ' ' ILE . 50.9 p-90 -85.89 -33.29 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -64.8 150.73 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -151.02 105.9 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.74 -30.31 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.28 -53.69 53.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 31' ' ' LEU . 16.7 pt -58.95 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -108.65 -177.29 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -65.75 -49.08 69.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.85 -50.98 66.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -44.93 -46.51 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -51.1 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -47.64 -37.68 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.33 -39.38 28.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' HD11 ' A' ' 23' ' ' ILE . 12.5 mt -57.37 -35.1 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.23 -3.48 58.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -109.05 -16.77 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -111.89 -69.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 33.8 m -79.73 -26.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.04 167.8 26.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.73 -178.5 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' O ' ' CZ ' ' A' ' 57' ' ' PHE . 96.7 t -63.26 -10.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -117.65 28.22 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -128.88 143.29 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -131.77 175.37 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 pp -163.49 157.82 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 44' ' ' ARG . 23.4 t -121.39 143.69 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -140.99 147.45 47.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.05 14.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.836 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -140.58 163.03 33.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m -145.25 121.85 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 56' ' ' TYR . 5.3 tt -94.24 162.34 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 61.8 m-85 -145.26 123.33 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 44.5 t80 -130.07 143.31 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 17.2 tpt180 -91.81 137.7 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 p -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -53.76 -56.92 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -65.09 -61.06 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -172.37 -179.85 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.94 134.96 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -95.95 -179.56 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -142.05 116.56 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.19 174.05 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -137.62 113.8 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -108.6 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.8 133.85 31.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.77 67.47 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.26 . . . . 0.0 112.406 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -128.06 144.77 52.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.45 30.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -87.72 21.48 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.94 42.36 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -139.5 -175.97 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.504 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.9 m-85 -131.32 140.83 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.0 mtp -115.3 111.66 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 93' ' ' TYR . 7.3 ttt -112.74 -41.37 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.36 65.98 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.07 12.18 42.35 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -119.92 176.39 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.76 118.36 20.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -116.82 172.66 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -72.97 -54.99 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 91.3 p -165.1 169.52 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.527 HG21 ' CH2' ' A' ' 18' ' ' TRP . 73.6 mt -45.87 -57.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.29 -47.68 5.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.46 -56.66 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 93' ' ' TYR . 30.3 mt -39.8 -46.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.9 mt -58.63 -55.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.95 -43.77 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -63.52 -55.06 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.5 m-85 -52.38 -39.94 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -53.17 -25.82 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -92.23 -27.33 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 97' ' ' GLN . 25.6 mp0 -125.37 114.34 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.603 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 3.7 pt20 -34.65 117.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 tt -71.99 -24.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 t -115.52 178.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -39.54 -41.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.92 38.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.422 ' CE1' HG12 ' A' ' 38' ' ' VAL . 29.2 m-85 -126.15 137.7 53.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.603 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 47.3 m-85 -110.88 154.68 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.98 102.15 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -77.65 -71.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -149.74 139.15 13.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.91 58.88 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.6 t -70.52 120.17 77.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.01 58.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 66.6 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.33 -30.79 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.8 p-90 -87.31 -20.64 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 49.2 t80 -80.26 162.78 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 11.1 m-70 -154.89 117.7 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.67 -34.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.47 -40.62 96.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD13 ' CD1' ' A' ' 31' ' ' LEU . 19.5 pt -73.96 -175.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -127.6 164.73 21.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' N ' ' NH2' ' A' ' 44' ' ' ARG . 36.4 tttm -51.52 -42.17 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.68 -46.9 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.44 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.4 -49.78 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -71.81 -40.79 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.467 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 14.7 mt -55.53 -49.92 71.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 4.4 mt -67.16 -17.4 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 47.0 mmm -95.56 -17.57 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -108.9 -59.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 27.5 m -86.46 -30.08 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -85.09 156.13 30.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' C ' ' HG2' ' A' ' 58' ' ' ARG . 40.3 mt-30 -131.87 -174.94 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.3 p -63.35 -2.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' H ' ' C ' ' A' ' 37' ' ' GLN . 82.5 m -135.0 46.05 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -148.65 140.13 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE2' HD12 ' A' ' 55' ' ' LEU . 8.5 p90 -137.77 179.09 6.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -163.37 155.89 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.25 142.45 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH2' ' N ' ' A' ' 25' ' ' LYS . 3.3 ptm85 -153.47 154.28 30.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.06 52.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 4.7 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 51.1 m-85 -158.72 172.29 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -165.18 141.71 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD12 ' CE2' ' A' ' 41' ' ' PHE . 7.6 tt -97.12 151.55 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 7.7 m-85 -129.15 120.16 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -131.96 136.82 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HG2' ' C ' ' A' ' 37' ' ' GLN . 5.4 ttt180 -94.89 141.05 29.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.9 p -120.77 165.51 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' ND2' ' OH ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -52.25 -16.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.0 -75.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.03 163.96 38.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -67.86 135.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -102.95 -175.79 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -146.33 127.46 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -105.67 -177.01 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -142.87 122.26 13.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.68 98.87 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.7 m -85.4 140.8 36.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -129.52 151.42 77.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.74 14.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . 20.8 m120 -102.0 43.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ASN . 8.8 m-20 37.75 40.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -138.25 -178.42 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.81 147.95 50.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 mtp -112.53 126.85 55.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.2 ttt -133.27 97.44 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.58 52.83 6.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.75 33.04 66.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -128.73 157.4 41.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.86 137.58 54.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.527 ' CD1' HG12 ' A' ' 89' ' ' ILE . 96.6 m-85 -145.04 137.45 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -39.69 -53.65 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' ILE . 14.0 t -158.24 156.31 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 85' ' ' SER . 93.9 mt -36.28 -58.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.14 -46.6 1.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -58.61 -59.27 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.527 HG12 ' CD1' ' A' ' 83' ' ' TYR . 61.5 mt -35.84 -41.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.65 -68.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -44.06 -30.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -74.5 -45.59 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 98' ' ' ILE . 5.7 m-85 -61.44 -43.03 99.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -40.94 -40.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -97.88 -18.23 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.16 116.89 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.53 119.21 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 93' ' ' TYR . 3.8 tt -74.99 -27.94 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 101' ' ' GLY . 1.7 t -118.46 178.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' VAL . 9.6 pt-20 -37.26 -32.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -175.77 56.57 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.416 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 23.3 m-85 -140.53 151.03 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.924 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -118.19 170.75 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -106.63 99.71 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -68.23 -68.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -150.73 142.67 15.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.78 169.45 18.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.63 132.74 51.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.41 63.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.17 -38.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.457 ' CH2' HG23 ' A' ' 86' ' ' ILE . 29.8 p-90 -74.39 -16.95 60.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -82.29 141.77 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -140.13 108.5 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.32 -19.02 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.66 -45.91 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 31' ' ' LEU . 10.9 pt -66.51 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -115.35 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -67.15 -47.25 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -59.59 -47.78 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.52 -50.0 73.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.82 -41.18 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -62.65 -60.82 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -53.68 -39.12 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 23' ' ' ILE . 11.7 mt -59.48 -60.24 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 16.0 mt -63.69 -8.24 9.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -97.92 -24.41 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 p -112.12 -73.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 36' ' ' GLY . 21.8 m -65.11 -24.29 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -92.29 -176.52 41.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' CYS . 15.2 tt0 -157.11 164.94 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 48.4 t -43.13 -22.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' GLN . 8.8 m -112.25 45.48 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -138.42 135.48 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.3 p90 -128.8 164.92 21.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 1.1 pp -164.2 138.12 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.11 150.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -156.11 139.57 11.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.26 15.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -143.98 167.03 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -158.99 133.64 8.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.4 tp -86.78 152.5 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.44 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 14.7 m-85 -131.72 102.94 6.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 31.8 t80 -114.59 146.22 41.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 11.7 tpt180 -94.72 137.97 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.8 p -135.62 155.44 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -43.09 -36.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -76.8 -72.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -165.8 152.22 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.76 122.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -91.06 179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -148.48 128.76 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -109.32 142.76 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.4 130.89 42.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.01 102.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.88 134.79 24.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.79 51.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.268 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.401 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 47.0 p -109.12 148.49 38.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.1 20.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.36 38.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 34.7 t30 48.54 40.27 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.48 -175.21 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -131.95 154.02 49.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.401 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 38.4 mtp -116.06 123.36 47.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.4 ttt -134.38 90.56 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.19 49.33 4.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.93 28.4 66.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -125.69 158.16 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -120.01 122.26 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.44 ' CG ' HG12 ' A' ' 89' ' ' ILE . 62.6 m-85 -123.11 162.46 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 4.8 p-10 -66.38 -53.76 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.1 p -155.69 151.03 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 HG23 ' CH2' ' A' ' 18' ' ' TRP . 26.1 mt -39.02 -61.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.63 -42.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.75 -50.8 65.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.44 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.5 mt -42.81 -29.03 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 86' ' ' ILE . 5.1 mp -77.09 -45.97 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.31 -33.15 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -75.27 -36.46 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.89 -27.7 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -57.11 -13.67 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.1 -17.85 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -112.6 145.65 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -70.54 103.85 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 tt -66.25 -23.54 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 101' ' ' GLY . 2.0 t -121.57 173.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' VAL . 4.4 pt-20 -36.42 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -174.62 56.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -139.73 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.13 151.58 47.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.8 mt -83.57 107.21 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -77.68 -70.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -154.47 142.81 14.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.46 12.61 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.44 127.88 74.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 146.42 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 55.0 mmtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -66.79 -35.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.476 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 36.9 p-90 -79.31 -16.35 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.68 147.14 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -144.24 105.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.04 -9.06 6.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -28.46 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.301 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 31' ' ' LEU . 18.6 pt -79.5 173.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -119.34 155.86 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.23 -65.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -45.16 -57.17 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' ASN . 3.2 mm-40 -49.8 -55.99 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -35.62 -51.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -55.77 -46.22 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 t30 -73.7 -21.94 60.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 23' ' ' ILE . 38.6 mt -70.64 -58.49 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -53.34 -26.78 20.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.42 ' SD ' ' NH1' ' A' ' 58' ' ' ARG . 90.2 mmm -78.83 -32.53 46.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 p -104.11 -70.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 36' ' ' GLY . 26.5 m -64.24 -26.22 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -107.02 171.5 16.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -152.72 175.05 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.3 136.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.5 m 66.09 46.42 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 m -136.54 139.18 42.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 11.1 p90 -129.13 173.98 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 pp -163.02 140.54 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.1 t -98.56 134.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -150.26 139.65 13.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.62 28.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -131.9 156.68 45.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -147.24 124.61 11.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -95.9 144.01 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 28.5 m-85 -117.81 157.57 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -148.62 136.55 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 13.8 ttt85 -107.98 125.49 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 p -121.93 151.81 40.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.87 -61.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -166.26 -178.68 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 64' ' ' GLN . 61.2 mt -95.69 139.53 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' N ' HG22 ' A' ' 63' ' ' ILE . 30.3 mt-30 -111.11 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 18.6 ttp180 -154.06 125.35 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.25 -179.13 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 148.87 52.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.13 110.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.08 134.77 21.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.05 62.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -122.02 149.29 53.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.86 37.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -87.46 42.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 m120 38.07 53.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -147.7 -178.48 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.4 mtp -107.64 117.83 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 72.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.75 -71.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.42 17.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -122.75 171.34 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -115.54 138.97 50.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.2 162.53 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -68.23 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 p -151.08 154.55 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 80.3 mt -40.33 -47.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.44 -45.09 8.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -67.87 -52.6 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 88' ' ' ASP . 73.5 mt -39.79 -30.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.478 HG12 ' CZ ' ' A' ' 41' ' ' PHE . 52.9 mt -71.13 -52.82 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -65.82 -40.91 92.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -57.37 -35.91 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.42 -37.23 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -41.05 -39.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -91.06 -26.5 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.42 114.26 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 2.9 pt20 -45.81 104.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.8 tt -58.11 -28.51 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 100' ' ' GLU . 1.7 t -113.46 173.24 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' VAL . 7.3 pt-20 -34.92 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.77 49.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -137.92 131.88 31.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 90.0 m-85 -109.3 139.0 44.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.16 107.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -79.21 -61.71 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -152.05 140.14 13.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.39 8.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -90.94 121.49 67.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 26.0 mmtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.724 0.297 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 18' ' ' TRP . 13.1 tt -67.84 -25.57 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 28.8 p-90 -86.26 -18.19 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.23 149.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -139.05 130.7 27.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.47 -32.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.431 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -44.79 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 31' ' ' LEU . 29.1 pt -64.59 -175.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -123.37 171.26 9.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -58.97 -54.49 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.9 -50.13 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.7 mm-40 -54.03 -58.87 5.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -33.72 -45.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.29 -51.24 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 42.3 t30 -64.97 -44.35 89.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 23' ' ' ILE . 18.5 mt -50.3 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 12.0 mt -49.29 -20.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 35' ' ' VAL . 65.6 p -104.36 -75.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.408 ' N ' ' OG1' ' A' ' 34' ' ' THR . 33.2 m -62.41 -42.57 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.29 163.53 39.37 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' H ' ' CB ' ' A' ' 40' ' ' SER . 2.8 tp-100 -123.8 175.28 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 81.0 t -52.7 -15.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -117.85 37.82 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 17.5 m -130.35 134.98 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -132.21 176.87 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -167.61 149.72 5.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.09 128.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.55 140.14 34.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 53.3 Cg_endo -69.78 144.27 53.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 54.2 m-85 -143.15 176.25 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -157.21 138.73 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -95.69 146.01 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 76.1 m-85 -124.33 129.67 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -146.12 148.14 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 5.9 tpt180 -99.2 146.8 25.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 63.9 p -142.38 171.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -58.82 -42.09 88.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -174.19 148.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.4 mt -42.78 129.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' NE2' HG13 ' A' ' 99' ' ' VAL . 29.8 mt-30 -94.87 165.09 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -137.88 122.39 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.07 159.92 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -112.85 129.51 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -118.25 110.68 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.3 t -101.47 134.35 20.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.95 67.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.396 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -121.81 147.27 48.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.9 17.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.58 25.87 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 56.68 42.21 27.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -137.39 -175.55 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -133.98 130.49 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.2 mtp -94.51 117.33 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -55.7 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.23 55.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.34 21.55 54.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.44 174.5 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -132.26 118.86 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.458 ' CD1' HG12 ' A' ' 89' ' ' ILE . 93.3 m-85 -119.57 137.44 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.3 -57.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.3 t -148.65 150.54 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' SER . 95.4 mt -35.04 -55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.21 -55.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -53.11 -50.09 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.458 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.5 mt -41.99 -39.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 mp -66.53 -64.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -45.83 -26.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.568 ' CD2' HD13 ' A' ' 98' ' ' ILE . 3.3 m-85 -57.9 -27.63 63.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 14.2 mtp-105 -61.38 -17.32 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -111.81 -12.29 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 4.1 pt20 -38.74 108.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.568 HD13 ' CD2' ' A' ' 93' ' ' TYR . 8.3 tt -69.74 -20.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -122.29 -174.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.21 39.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 137.42 38.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 22.4 m-85 -151.58 150.16 29.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 97' ' ' GLN . 10.7 m-85 -125.82 156.39 39.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.422 HD12 ' CB ' ' A' ' 93' ' ' TYR . 90.2 mt -78.51 102.59 7.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -72.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -148.61 138.0 12.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.736 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.77 159.77 52.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 109' ' ' PRO . 84.1 t -72.02 135.74 82.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.412 ' N ' HG12 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.76 153.96 68.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.258 . . . . 0.0 112.302 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 59.6 mmtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.773 0.321 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 tt -53.97 -43.39 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CH2' HG22 ' A' ' 86' ' ' ILE . 28.4 p-90 -76.84 -14.78 59.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -85.05 146.05 27.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -144.25 111.95 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.53 -13.51 2.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -82.73 -29.72 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 pt -78.62 -175.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -117.71 166.84 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -58.28 -60.28 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.489 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 15.8 pm0 -54.1 -31.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.71 -54.46 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.46 -38.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.31 -41.52 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -77.98 -43.57 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 mt -50.58 -54.64 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.82 -26.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -88.17 -15.26 36.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -113.02 -74.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 36' ' ' GLY . 19.3 m -69.92 -28.12 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -101.36 173.68 24.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -155.45 -176.42 5.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' N ' ' HE ' ' A' ' 58' ' ' ARG . 2.9 t -45.93 144.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 m 62.74 42.51 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p -126.72 144.12 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -139.23 161.62 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 pp -158.62 149.92 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -107.43 149.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 44' ' ' ARG . 1.9 mtp-105 -148.43 147.25 24.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.3 32.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -154.53 159.37 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -137.25 118.46 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -90.42 151.97 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 66.8 m-85 -133.58 120.09 20.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -115.2 150.1 36.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HE ' ' N ' ' A' ' 38' ' ' VAL . 18.3 ttt85 -116.72 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.1 p -134.74 162.06 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -49.69 -26.0 3.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.34 -69.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -166.1 157.63 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 127.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.65 159.54 16.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 29.0 ttp180 -130.34 144.64 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 98' ' ' ILE . 3.4 m-85 -117.41 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -138.24 130.68 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -119.78 106.44 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 98.1 m -93.81 139.78 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.93 51.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.459 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 38.1 p -136.52 149.54 67.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.88 36.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' ASN . 39.3 t30 -87.79 46.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' ASN . 12.8 m-20 34.13 54.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -150.52 -175.0 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -132.55 144.15 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' A' ' 71' ' ' THR . 36.8 mtp -106.65 119.69 39.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.08 107.01 6.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 42.62 17.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.81 38.02 94.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -140.43 179.74 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 14.8 m-85 -128.2 144.85 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 17.6 m-85 -142.51 146.42 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -56.34 -42.39 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.2 p -169.81 152.88 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' CH2' ' A' ' 18' ' ' TRP . 19.1 mt -41.42 -48.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.66 40.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -43.05 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 mt -47.27 -38.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.59 -64.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.58 -35.92 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -68.02 -51.1 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.23 -33.46 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -50.49 -26.7 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -110.8 -15.9 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -117.24 120.18 37.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.531 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 83.2 mt-30 -55.28 114.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.43 HD13 ' CE2' ' A' ' 66' ' ' PHE . 15.5 tt -69.97 -24.74 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -113.49 -174.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.95 2.79 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . 167.77 49.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 60.6 m-85 -154.78 130.83 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 12.6 m-85 -102.17 173.0 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.84 87.91 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -58.68 -65.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.91 140.46 8.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.23 4.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.25 129.62 44.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.03 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 17.2 mmmt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.42 -29.64 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.472 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 46.2 p-90 -87.74 -23.23 24.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -82.37 134.4 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -140.86 105.5 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.77 -17.28 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -74.9 -46.27 37.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.8 -177.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 m -119.79 175.92 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -62.58 -55.54 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.41 -32.35 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.02 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.21 -33.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.48 -56.87 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -61.92 -35.95 79.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.0 mt -57.23 -62.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 5.9 mt -57.95 -18.28 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.9 mmm -86.65 -27.92 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.9 p -110.82 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 36' ' ' GLY . 27.1 m -60.2 -27.0 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -103.69 139.05 14.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -98.78 -177.46 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.82 -7.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.41 33.36 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -128.58 144.0 51.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -139.84 -177.09 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 pp -170.05 159.23 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.62 137.75 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -132.39 151.06 77.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.546 0.689 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.74 19.96 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . 4.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 1.7 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -138.29 174.8 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -146.07 141.21 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.68 148.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.439 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 61.0 m-85 -135.09 123.64 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -126.7 143.63 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -93.76 127.68 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.5 p -126.03 151.15 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -46.97 -31.25 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.1 -72.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.7 142.52 7.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.0 mt -47.57 126.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -90.29 -176.59 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -157.23 116.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -103.22 174.17 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -133.09 125.62 29.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.8 mt -112.6 108.99 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -98.12 142.29 24.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 156.62 62.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.9 p -129.07 151.51 77.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.1 m120 -102.48 44.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p30 37.04 49.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -142.32 -179.4 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.34 132.64 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 mtp -95.09 128.84 42.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 97.95 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.11 -66.05 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.01 25.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 178.19 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.6 146.28 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -137.7 138.87 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.43 -42.95 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -175.02 168.17 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.434 HG21 ' CH2' ' A' ' 18' ' ' TRP . 44.1 mt -52.66 -63.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.55 -36.52 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.93 -45.39 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 93' ' ' TYR . 57.5 mt -45.43 -33.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -51.42 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -66.68 -24.05 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -79.19 -34.58 42.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.502 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.6 m-85 -79.2 -31.73 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -49.48 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 -12.02 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -126.44 121.38 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 3.1 pt20 -58.01 115.17 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.502 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 15.2 tt -68.04 -15.59 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 2.3 t -128.17 171.26 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' VAL . 15.1 pt-20 -36.74 -39.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -165.52 59.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.422 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 39.0 m-85 -148.71 131.22 15.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 98.5 m-85 -110.83 148.42 32.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.66 113.02 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -80.0 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -154.5 141.26 13.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.43 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.86 149.95 66.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -57.78 124.19 67.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.54 7.95 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -44.25 -37.76 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m 40.16 48.32 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.05 172.7 27.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -107.18 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.362 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -170.88 148.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.92 -74.97 0.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.02 107.23 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -139.6 162.5 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -120.68 146.56 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.27 153.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -40.31 5.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -81.48 4.27 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.32 38.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 71.6 mmtt -63.21 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 tt -81.03 -25.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 30.5 p-90 -85.97 -19.23 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -79.57 147.33 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -141.82 126.94 18.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.23 -37.84 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -58.65 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 pt -73.85 -175.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -123.27 -178.43 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.08 -47.95 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -47.99 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.23 -50.26 71.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.79 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -59.31 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -60.97 -21.35 63.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.27 -55.76 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 108' ' ' VAL . 19.8 mt -57.98 -12.97 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.4 mtp -96.35 -26.61 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.6 p -105.88 -69.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.93 -24.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.27 -172.71 18.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.92 174.2 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 t -38.49 140.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.49 34.13 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 m -132.32 134.89 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -130.66 174.99 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 1.3 pp -165.21 145.6 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.15 138.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 56' ' ' TYR . 3.6 ptm85 -140.43 143.59 33.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.38 7.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.752 2.302 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -52.48 113.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.91 -69.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -44.5 -24.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 47.8 m -130.08 95.14 28.97 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 53.4 Cg_endo -69.81 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.34 -10.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' CD ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -112.48 -174.7 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -144.2 166.27 25.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 p -149.47 129.89 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.55 138.57 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.537 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 15.5 m-85 -121.27 105.58 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -101.95 149.97 23.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -117.35 125.28 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -127.48 149.21 50.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -33.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -72.57 -65.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -166.14 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.31 130.76 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.96 -175.23 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -159.51 115.15 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -96.15 166.94 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.03 126.59 51.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.76 95.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.97 141.54 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' CD ' ' OD1' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.72 146.66 61.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -114.6 150.0 43.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.44 4.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -111.64 38.61 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 44.37 51.27 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -148.32 177.95 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -122.98 147.42 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.86 132.27 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.6 ttt -139.31 111.66 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.54 43.71 95.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.34 28.36 68.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -115.76 175.11 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -148.37 110.3 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CG ' HG12 ' A' ' 89' ' ' ILE . 69.7 m-85 -116.71 162.74 17.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.22 -46.29 88.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -163.17 167.66 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' GLY . 10.1 mt -49.7 -64.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -35.81 -40.95 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ILE . 3.0 m-20 -67.26 -56.45 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.464 HG12 ' CG ' ' A' ' 83' ' ' TYR . 60.5 mt -35.41 -42.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.5 mt -68.32 -60.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -46.13 -31.0 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -75.98 -49.71 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.414 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.7 m-85 -56.13 -30.7 62.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.03 -12.25 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.16 -30.44 6.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -120.38 112.96 19.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.669 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 4.9 pt20 -40.85 131.59 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.414 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 7.4 tt -85.01 -17.93 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.5 t -121.22 175.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -50.0 -27.45 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.91 54.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 62.6 m-85 -146.8 147.46 30.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.669 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 52.7 m-85 -127.77 151.94 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.8 mt -79.36 109.79 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -86.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.99 139.03 12.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.3 Cg_endo -69.77 175.91 7.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.453 HG21 ' CD2' ' A' ' 32' ' ' LEU . 78.1 t -89.22 133.69 34.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.89 58.41 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.46 150.11 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -96.44 132.44 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.12 84.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -40.8 -58.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 113' ' ' GLN . 46.9 m -34.51 120.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 170.91 158.68 15.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.549 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.06 15.37 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -50.37 100.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -123.57 171.99 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.532 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p -118.44 94.0 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -141.0 113.62 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.2 -45.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -38.25 133.55 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -112.25 126.05 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 102.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -52.61 99.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -111.56 176.25 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.93 146.71 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.68 148.92 38.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -44.89 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -57.88 -40.32 79.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.48 -4.81 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.32 -9.22 62.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 31.6 mmtp -55.03 157.17 3.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.64 -33.56 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.47 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 24.2 p-90 -77.66 -19.76 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 58.2 t80 -82.12 154.9 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -151.63 111.64 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -15.31 3.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -54.41 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' CD1' ' A' ' 31' ' ' LEU . 18.4 pt -57.72 177.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -110.3 176.84 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -65.02 -29.02 69.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.36 -43.38 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -60.13 -40.12 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.92 -34.51 63.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.39 -53.18 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.9 m-20 -66.67 -41.5 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' CD1' HD11 ' A' ' 23' ' ' ILE . 19.3 mt -49.98 -58.76 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 17.0 mt -63.51 -12.54 33.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.72 -10.6 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ASN . 19.6 p -114.52 -63.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.4 -23.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.9 21.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -116.18 -175.47 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.07 -5.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -128.68 40.87 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -134.29 150.83 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CD2' HD11 ' A' ' 55' ' ' LEU . 8.6 p90 -148.48 -179.33 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 171.3 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 44' ' ' ARG . 60.8 t -128.87 138.9 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' HG12 ' A' ' 43' ' ' VAL . 1.4 mtm105 -142.99 148.63 46.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 121.55 8.25 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -68.14 154.73 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.34 -41.05 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.84 -48.0 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 50' ' ' PRO . 80.9 m -105.36 137.96 19.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 49' ' ' THR . 53.3 Cg_endo -69.81 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.63 57.48 0.98 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.58 165.49 25.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -128.9 162.09 28.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -140.49 152.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 41' ' ' PHE . 4.9 tp -121.53 141.39 51.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.461 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 29.9 m-85 -125.85 118.76 26.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -123.58 149.18 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -107.62 122.23 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 p -117.23 179.65 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -67.88 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -83.27 -68.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -168.51 150.72 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -51.99 125.34 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -92.93 -176.98 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -156.76 119.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.448 ' CG ' ' HE2' ' A' ' 78' ' ' MET . 79.5 m-85 -100.94 171.33 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -127.73 125.6 40.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.3 mt -109.51 122.66 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.9 t -115.25 134.12 22.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 156.59 62.82 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.328 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -132.93 151.8 78.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -105.02 41.28 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t30 40.6 45.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -141.34 -175.65 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.7 124.83 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mtp -89.11 119.82 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.448 ' HE2' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -95.77 -64.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.74 -48.5 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.65 41.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -156.59 175.22 14.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -123.88 96.91 5.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -91.72 134.76 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.4 -40.24 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.3 p -164.33 168.08 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 90' ' ' ILE . 53.7 mt -54.89 -43.93 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.79 14.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -39.38 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.38 -32.24 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 86' ' ' ILE . 4.5 mp -71.7 -69.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -51.22 -24.74 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -75.09 -54.64 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.42 -32.49 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -39.67 -35.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -29.78 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.22 121.57 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.6 pt20 -55.7 116.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.3 tt -72.3 -18.82 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.11 176.58 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -56.14 -13.99 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -179.91 51.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 64.3 m-85 -154.96 131.3 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.516 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 96.6 m-85 -106.9 168.06 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.65 96.34 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -67.42 -65.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -156.72 143.96 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.74 175.11 8.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.286 . . . . 0.0 112.382 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.417 ' CG2' HD21 ' A' ' 32' ' ' LEU . 53.2 t -88.33 126.72 59.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 173.32 11.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mtm -89.52 -174.93 4.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -112.74 64.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.81 150.38 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 101.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.0 m -81.37 152.15 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.69 144.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -165.92 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.7 p -119.28 82.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.3 m -154.92 121.39 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 38.27 42.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -121.01 150.81 40.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.59 -126.97 44.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -49.83 163.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -107.93 42.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.75 160.25 14.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -101.83 112.32 24.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.16 126.03 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -108.4 115.83 30.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.93 149.44 48.78 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.74 2.51 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -56.05 -35.6 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.94 159.88 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 -26.21 24.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.513 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.0 mmtt -56.65 168.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.4 tt -93.83 -28.39 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 15.1 p-90 -83.99 -37.4 22.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 57.6 t80 -61.93 120.36 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.56 92.38 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.19 -7.9 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -86.67 -39.5 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 28' ' ' ALA . 1.2 pp -84.9 176.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.7 m -120.57 150.82 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 44' ' ' ARG . 45.3 tttm -33.29 -59.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -41.28 -49.51 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 3.5 mp0 -65.59 -57.02 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' CB ' HD13 ' A' ' 23' ' ' ILE . . . -34.94 -35.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 10.4 m-85 -66.1 -50.11 65.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.8 m-20 -69.22 -20.91 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.42 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.54 -12.12 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -100.29 -28.12 13.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.6 p -99.22 -72.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 36' ' ' GLY . 31.6 m -72.39 -47.46 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -80.39 169.89 52.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 38' ' ' VAL . 8.1 tt0 -156.49 174.97 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 37' ' ' GLN . 4.7 t -34.65 142.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 m 68.73 35.2 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.5 p -124.37 143.08 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -139.04 161.0 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -164.98 151.19 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 55' ' ' LEU . 11.4 t -119.11 148.99 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.7 ptm180 -151.01 142.75 15.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 127.35 14.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.7 t -57.14 102.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -44.4 -59.41 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -56.6 -46.48 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.5 m -104.6 92.36 4.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 111.179 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.12 -29.54 0.89 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.24 177.85 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -149.09 149.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -140.51 123.03 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' CE1' ' A' ' 66' ' ' PHE . 12.6 tp -76.43 153.57 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -134.02 95.81 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.63 143.65 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HD2' ' CG1' ' A' ' 63' ' ' ILE . 9.4 tpt180 -110.18 131.85 54.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.4 p -133.99 165.24 25.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -48.75 -40.46 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.31 -62.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -174.72 172.54 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.412 ' CG1' ' HD2' ' A' ' 58' ' ' ARG . 95.5 mt -78.24 123.45 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -91.88 -179.45 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -150.36 126.82 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.492 ' CE1' HD21 ' A' ' 55' ' ' LEU . 8.4 m-85 -104.06 176.46 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -127.21 132.37 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.2 mt -130.0 115.39 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.55 133.73 21.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.56 51.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.6 p -123.26 143.74 41.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.567 0.699 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.87 22.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.6 16.32 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 67.48 33.73 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -140.49 173.51 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.5 121.01 31.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.5 mtp -78.79 141.78 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.41 19.19 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.32 -3.76 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.9 -15.48 0.91 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -111.21 151.18 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.99 140.57 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' ASN . 51.9 m-85 -133.41 138.43 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' TYR . 22.0 t30 -34.49 -57.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 m -169.44 164.19 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.3 mt -45.14 -51.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.13 -40.71 52.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.17 -53.36 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.401 HG12 ' CB ' ' A' ' 83' ' ' TYR . 23.7 mt -40.33 -34.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.7 mt -74.65 -46.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.59 -38.0 88.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -67.41 -33.8 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 3.1 m-85 -74.19 -28.51 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -54.13 -27.0 30.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 -15.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -125.6 120.57 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 88.7 mt-30 -50.31 114.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.51 ' HA ' ' CE1' ' A' ' 93' ' ' TYR . 9.6 tt -67.71 -24.58 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 t -115.02 -176.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.78 -20.43 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.67 52.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -142.81 142.45 31.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 48.2 m-85 -109.42 168.34 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.65 99.73 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -158.74 143.87 11.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.06 10.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -83.79 133.76 45.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.31 46.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mtm -80.67 -179.2 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -126.74 54.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -44.03 109.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -87.91 138.19 31.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 t -166.49 123.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.84 149.18 25.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 128.97 16.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.3 t -144.4 136.8 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -98.22 147.35 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -167.54 148.68 5.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.824 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -57.95 122.43 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.39 144.91 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -131.31 -51.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 162.27 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.99 59.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -103.74 117.71 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.21 156.05 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -105.36 139.13 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.69 161.34 59.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -42.22 3.58 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -61.02 -34.14 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -61.63 -21.94 64.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.17 -18.69 68.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -69.98 146.21 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 tt -82.57 -36.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 36.5 p-90 -74.28 -15.54 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -81.69 133.63 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -134.79 91.15 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.94 -21.34 8.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.5 -41.5 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 pt -62.18 -178.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -110.24 -175.87 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -71.72 -37.03 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.61 -51.97 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.93 -43.46 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -41.44 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.54 -41.56 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.81 -31.27 61.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.23 -59.74 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.71 -15.97 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.9 -19.92 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 p -113.55 -74.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.19 -20.9 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.84 -172.81 34.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -155.29 179.95 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 t -64.25 -6.17 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.55 26.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.72 150.68 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -139.71 173.02 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -164.55 141.35 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 44' ' ' ARG . 61.4 t -105.44 137.38 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' N ' HG11 ' A' ' 43' ' ' VAL . 7.2 ptm180 -135.73 143.35 44.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 128.42 16.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . 2.5 t -57.8 150.6 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -94.46 -61.76 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -43.07 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 m -94.35 125.77 50.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 4.99 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.34 62.57 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 31.5 t70 -153.17 162.3 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.62 172.19 13.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -160.78 144.88 13.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 55' ' ' LEU . 10.2 tt -101.51 145.03 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.7 120.94 34.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -125.0 142.32 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -97.8 131.18 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.7 p -132.72 165.83 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -50.65 -42.63 56.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.98 -68.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -166.43 158.79 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.24 117.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -75.22 178.37 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -157.0 116.12 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CG ' ' HE1' ' A' ' 78' ' ' MET . 95.9 m-85 -99.36 176.82 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -138.17 127.15 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.53 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.3 m -91.3 142.85 27.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.57 68.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.4 p -126.61 147.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.174 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.96 32.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 47.75 38.2 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.75 175.74 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -119.64 140.35 50.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.8 mtp -106.68 120.27 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.508 ' HE1' ' CG ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -115.3 68.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.54 -62.05 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.47 35.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -146.36 146.73 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 132.64 48.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.522 ' CD1' HG12 ' A' ' 89' ' ' ILE . 66.2 m-85 -130.06 152.2 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.48 -48.16 73.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.434 ' CG2' ' CH2' ' A' ' 18' ' ' TRP . 71.0 mt -38.4 -46.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.47 -48.09 42.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.32 -53.87 31.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.2 mt -41.23 -43.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -58.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -46.74 -37.29 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -77.97 -37.66 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -67.78 -26.05 65.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 11.2 mtp-105 -49.29 -26.3 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 96' ' ' GLU . 10.6 ptmt -106.77 -27.21 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 95' ' ' LYS . 9.0 mp0 -100.67 115.62 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 92.5 mt-30 -50.9 114.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.2 tt -69.02 -21.54 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.21 -174.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.4 39.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.55 36.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -150.43 141.44 22.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.397 . . . . 0.0 110.924 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 13.0 m-85 -114.15 172.43 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.6 mt -98.18 100.59 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -75.23 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.75 143.94 11.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.461 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.7 -177.28 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -97.29 130.79 28.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 171.62 14.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.6 mtm -84.71 -175.8 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ASP . 8.3 mm-40 -126.2 81.99 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' GLN . 1.2 p30 -37.14 129.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -50.73 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 p -123.62 173.05 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.51 146.19 18.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 159.09 54.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 t -89.09 159.37 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.1 t -58.4 100.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -151.39 164.71 36.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 156.57 23.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 -146.76 16.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -126.24 83.55 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 m -111.66 110.21 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -91.13 97.23 2.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.8 ttp180 -37.11 120.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -88.99 157.78 18.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -77.8 124.14 27.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -109.11 147.52 36.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.55 3.35 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.734 2.289 . . . . 0.0 112.344 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -50.84 -44.24 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.1 pp20? -87.41 157.16 19.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.49 -21.6 40.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -58.56 168.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 tt -84.35 -28.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CH2' HG23 ' A' ' 86' ' ' ILE . 35.9 p-90 -88.89 -15.16 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 77.5 t80 -87.09 147.69 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -136.7 127.46 27.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.96 -28.82 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -75.3 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 31' ' ' LEU . 17.5 pt -55.24 -175.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 m -123.84 -179.47 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -58.65 -52.22 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -53.45 -59.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -40.44 -52.46 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.45 -49.45 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -54.27 -59.42 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -53.59 -43.19 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 23' ' ' ILE . 21.1 mt -56.54 -62.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.82 -12.63 4.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.44 -18.41 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 -74.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.99 -34.86 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.14 167.62 34.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -131.56 -177.63 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 17.0 t -61.56 -8.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 18.9 p -125.28 35.17 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.4 p -125.74 147.31 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -136.5 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -173.58 144.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 44' ' ' ARG . 61.6 t -104.07 160.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 14.8 ptt85 -165.03 143.02 5.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 114.96 3.88 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -44.88 102.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.77 -35.54 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -70.36 -54.2 13.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 m -93.37 117.93 67.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.599 0.714 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 115.27 4.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.76 5.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.33 158.29 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -128.02 169.37 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 p -159.72 130.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tp -84.39 148.5 26.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.72 112.5 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -119.63 152.81 36.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 19.6 tpt180 -99.9 134.8 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.6 p -128.85 154.79 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -41.77 -37.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.12 -75.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -158.86 153.48 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 64' ' ' GLN . 23.7 mt -53.04 134.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 63' ' ' ILE . 27.1 mt-30 -90.05 -176.97 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -151.79 114.4 4.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -100.92 173.42 6.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -131.04 130.91 43.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.88 101.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.0 m -95.23 141.8 23.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 149.82 67.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.5 p -127.94 148.71 68.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 0.03 6.22 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -105.83 38.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 42.19 46.75 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 83' ' ' TYR . 39.8 mt-30 -146.04 176.62 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.73 140.0 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.4 mtp -106.46 124.85 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.501 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 10.8 ttt -122.38 93.24 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.74 -62.94 2.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.49 28.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -126.02 176.03 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -131.02 120.12 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 84.3 m-85 -119.93 159.22 25.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.14 -50.44 70.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m -160.77 167.27 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.417 HG23 ' CH2' ' A' ' 18' ' ' TRP . 74.7 mt -48.2 -60.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.55 -44.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ILE . 10.5 t70 -62.73 -57.8 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 93' ' ' TYR . 72.0 mt -35.0 -45.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -58.98 -59.82 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -53.64 -55.91 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -48.15 -31.29 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.501 ' CE2' ' HE2' ' A' ' 78' ' ' MET . 5.7 m-85 -80.64 -39.28 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -46.83 -28.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -17.69 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.31 116.92 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.3 pt20 -48.48 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.9 tt -55.79 -23.18 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.72 173.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -44.54 -26.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -172.04 57.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 44.7 m-85 -153.27 143.17 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 95.8 m-85 -118.27 172.12 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.8 127.67 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 39' ' ' CYS . 27.1 mmtm -103.96 -68.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -150.02 138.78 12.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.403 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.99 128.97 32.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 149.92 67.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.84 148.57 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -105.29 127.73 53.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -102.62 103.98 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -115.47 -58.95 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 p -126.13 124.24 40.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.99 -158.81 32.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.16 34.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.272 . . . . 0.0 112.292 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -132.41 93.81 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 t -168.93 157.42 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 45.95 42.46 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -118.58 123.9 46.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 168.58 25.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -40.14 160.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -88.38 111.13 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 145.7 11.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -114.79 105.2 12.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -63.35 178.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -108.9 111.94 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -92.0 143.8 28.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.546 0.689 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.98 3.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -61.15 -21.38 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.88 6.03 49.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -135.48 43.34 1.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -92.93 155.12 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 109' ' ' PRO . 2.3 tp -67.71 -35.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CE3' HG21 ' A' ' 43' ' ' VAL . 62.0 p-90 -83.3 -31.79 26.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -72.19 147.17 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -148.81 105.87 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.48 -8.83 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' ILE . 14.4 pttp -82.93 -43.81 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.9 pt -72.59 -175.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -120.38 164.9 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -47.53 -59.89 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -46.27 -60.36 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -46.5 20.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.47 -45.74 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -56.28 -44.89 80.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.39 -45.89 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 23' ' ' ILE . 14.0 mt -47.9 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 42' ' ' LEU . 9.2 mt -61.77 -11.65 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.418 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -94.62 -14.16 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -128.45 -72.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 m -64.7 -22.62 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.51 175.39 19.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -145.92 -175.68 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.76 -3.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.7 m -119.9 29.99 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -146.07 145.05 30.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -132.72 173.66 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -159.96 138.67 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.567 HG21 ' CE3' ' A' ' 18' ' ' TRP . 90.3 t -97.06 148.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -151.78 139.37 12.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.07 12.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.7 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -123.1 -75.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' THR . 4.6 m120 -57.69 -67.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' ASN . 69.8 p -34.47 151.87 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 111.117 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 79.69 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.54 41.82 93.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.25 166.0 12.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -119.17 172.04 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -162.75 126.27 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.5 tt -85.77 148.06 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.412 ' N ' HD23 ' A' ' 55' ' ' LEU . 89.6 m-85 -124.99 107.62 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -118.18 147.25 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 7.8 tpt180 -98.95 136.26 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -128.98 170.01 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -54.75 -41.26 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.44 -64.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.75 164.37 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.94 124.4 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.34 178.03 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -144.79 114.99 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -101.65 156.0 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -120.07 120.67 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -113.42 118.61 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 m -109.84 142.11 25.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 165.6 30.52 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -138.25 145.28 46.6 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.09 3.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.3 17.86 21.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.88 33.44 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.36 -178.49 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.4 m-85 -128.68 131.47 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.4 mtp -97.42 122.43 40.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.72 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.27 60.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.26 26.87 54.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.84 177.55 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -131.37 131.08 43.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CD1' HG12 ' A' ' 89' ' ' ILE . 95.8 m-85 -134.2 132.5 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' TYR . 8.7 t-20 -37.3 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 32.9 t -150.02 161.7 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 86.3 mt -45.43 -48.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.19 -47.58 4.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.446 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.41 -56.68 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 83' ' ' TYR . 71.0 mt -37.06 -36.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.74 -69.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.26 -38.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -67.59 -45.01 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.94 -37.55 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -49.1 -28.91 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -99.03 -16.68 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -124.83 119.09 27.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 1.5 pt20 -44.57 115.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.5 tt -73.85 -24.27 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.1 t -118.45 -174.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.65 38.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.598 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 141.96 35.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 13.8 m-85 -150.23 148.37 28.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 60.0 m-85 -126.52 168.14 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.79 88.74 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -65.93 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -154.13 141.76 13.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.5 t -67.93 124.58 89.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.8 154.14 67.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.643 2.229 . . . . 0.0 112.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.3 mtm -82.29 176.57 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -114.38 86.62 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -52.2 123.92 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.15 49.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 t -120.29 157.49 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.95 -171.49 53.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 157.25 61.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 p -123.69 -4.4 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -133.11 78.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -124.35 88.5 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -155.78 158.88 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.84 95.85 1.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -47.14 147.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -79.35 151.85 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.6 57.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -103.78 113.15 26.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -114.89 144.52 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.8 123.68 29.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -117.77 156.63 49.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -50.67 -40.69 54.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.14 131.65 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -28.76 8.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -54.85 157.32 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -82.66 -34.06 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 34.7 p-90 -78.24 -27.06 47.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 31.9 t80 -74.36 156.78 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -151.77 127.65 10.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -39.88 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -40.43 82.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 pt -68.68 -178.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 m -122.61 164.18 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -46.84 -52.86 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -39.9 -56.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -34.02 -51.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.87 -51.64 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.42 -48.64 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.55 -53.78 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.04 -16.59 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.3 -22.12 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 p -112.11 -74.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.5 m -65.75 -19.29 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.07 161.54 13.06 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -146.2 -178.05 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -40.48 140.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.6 m 67.32 40.14 2.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -127.58 137.99 52.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 90' ' ' ILE . 2.5 p90 -133.45 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 2.2 pp -159.48 147.52 17.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' CE3' ' A' ' 18' ' ' TRP . 95.9 t -108.07 140.2 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 45' ' ' PRO . 28.6 ptt85 -150.33 151.71 31.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 54.0 Cg_endo -69.75 149.27 66.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -83.94 136.5 34.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ASN . 1.2 m-20 -77.83 163.76 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ASP . 19.5 m120 34.01 48.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 51' ' ' GLY . 0.7 OUTLIER -141.51 161.43 52.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 0.0 111.118 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 7.61 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 49' ' ' THR . . . 125.69 2.68 7.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -45.45 162.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -126.85 158.53 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -147.85 130.87 16.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 tt -101.04 149.88 23.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.14 131.88 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' A' ' 59' ' ' THR . 16.7 t80 -119.29 156.49 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 33' ' ' MET . 12.9 tpt180 -117.84 131.55 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.423 HG23 ' CE2' ' A' ' 57' ' ' PHE . 44.8 p -140.87 157.97 44.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -43.96 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.13 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -168.87 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -82.19 124.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.01 177.51 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -148.41 134.51 19.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.01 164.47 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 122.99 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt -112.83 108.35 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.8 m -99.17 142.14 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.7 41.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.8 p -137.67 144.55 45.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -13.23 34.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -87.58 22.31 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.407 ' C ' ' HG2' ' A' ' 75' ' ' GLN . 71.6 m-20 57.48 49.77 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' HG2' ' C ' ' A' ' 74' ' ' ASN . 6.7 mm100 -145.85 -176.23 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -130.82 131.21 44.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.4 mtp -104.58 127.14 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 ttt -120.86 -56.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.37 46.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.41 85.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.6 161.33 21.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.32 120.16 40.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CG ' HG12 ' A' ' 89' ' ' ILE . 2.9 m-85 -114.24 165.03 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.49 -51.5 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -167.26 160.17 13.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.1 mt -40.91 -51.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.57 -55.17 5.41 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ILE . 26.0 t0 -57.65 -57.7 11.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.511 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.9 mt -36.96 -49.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.474 HG22 ' CZ ' ' A' ' 41' ' ' PHE . 29.4 mt -57.57 -61.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 26.8 t70 -51.48 -56.98 10.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -49.45 -29.22 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.443 ' CE2' HG22 ' A' ' 89' ' ' ILE . 2.6 m-85 -78.97 -31.85 45.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 91' ' ' ASP . 24.7 mmt180 -41.93 -43.37 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -19.19 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -102.32 116.18 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 71.5 mt-30 -52.93 94.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.1 tt -57.76 -16.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 57' ' ' PHE . 1.3 t -126.42 178.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -41.29 -27.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.81 48.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -134.68 136.24 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.461 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 89.9 m-85 -104.07 166.56 10.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.75 97.62 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -71.25 -63.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.92 141.59 4.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.76 174.27 9.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 109' ' ' PRO . 96.8 t -84.69 138.47 37.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.635 0.731 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.73 172.98 11.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.8 mtm -85.59 -177.23 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -124.59 86.55 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.2 119.26 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.92 150.51 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 m -162.61 127.2 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.85 168.15 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 101.01 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.7 t -49.25 103.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -84.07 -51.63 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -93.51 -49.18 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -82.74 159.37 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.4 -57.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -100.82 175.46 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -55.65 169.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.1 175.12 49.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -144.71 171.06 14.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.4 170.25 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -124.57 171.23 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -128.15 149.82 72.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -40.69 4.93 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.254 . . . . 0.0 112.301 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -55.29 -32.32 62.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -67.08 -14.16 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.58 -13.83 57.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -64.88 160.41 20.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -90.63 -32.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 31.4 p-90 -79.18 -18.51 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 88.2 t80 -81.89 157.11 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 9.9 m-70 -151.02 138.47 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 -41.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.69 -34.15 73.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 HD13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 pt -78.85 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 t -126.95 161.2 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -38.17 -64.41 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 17.4 mp0 -42.31 -53.51 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.1 -53.01 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.36 -42.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.95 -66.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -47.97 -35.37 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' A' ' 23' ' ' ILE . 12.9 mt -62.32 -53.28 57.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 10.1 mt -69.03 -3.34 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.2 mmm -102.96 -19.44 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -119.3 -74.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.65 -18.75 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.3 156.94 18.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -118.34 176.94 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.1 t -65.03 -6.9 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.34 35.32 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.84 141.42 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -130.7 -177.74 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 pp -165.42 163.46 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.6 128.63 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -131.05 143.85 51.12 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.87 10.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t -58.21 173.61 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -119.0 -46.35 2.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -65.07 -56.81 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -80.82 124.88 81.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.74 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.2 51.73 4.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -124.29 170.95 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -139.7 152.3 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.0 m -138.18 135.03 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -96.16 143.82 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 46.5 m-85 -131.52 109.24 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -116.28 149.15 39.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -101.79 130.81 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -131.07 161.62 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -40.28 27.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -72.03 -74.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -161.88 160.99 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.24 127.64 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.9 173.11 8.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -148.75 116.83 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.04 167.79 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.08 120.22 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.1 mt -109.13 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.54 133.98 35.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.716 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.5 35.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.4 p -108.45 150.99 41.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.23 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -89.09 37.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 45.25 53.7 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -147.41 -175.03 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -134.77 134.77 41.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 mtp -99.31 116.01 30.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.41 87.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.27 59.59 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.11 27.23 59.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -136.35 134.47 37.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.12 151.69 19.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.45 ' CG ' HG12 ' A' ' 89' ' ' ILE . 57.0 m-85 -147.19 158.54 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.51 -49.74 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ILE . 4.1 m -162.9 151.51 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' SER . 57.9 mt -34.14 -62.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.14 -41.39 2.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' SER . 22.6 t70 -64.65 -53.81 41.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.45 HG12 ' CG ' ' A' ' 83' ' ' TYR . 52.5 mt -39.85 -40.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' HIS . 34.9 mt -71.22 -67.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' ILE . 1.6 m-20 -37.04 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' ILE . 71.2 t60 -73.9 -55.86 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.553 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 6.3 m-85 -55.47 -29.8 59.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -51.34 -33.04 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -105.27 -15.57 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -119.09 124.69 47.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.9 pt20 -54.11 116.08 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.553 ' HA ' ' CE1' ' A' ' 93' ' ' TYR . 13.7 tt -72.69 -24.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.08 -174.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -82.17 39.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.525 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 140.91 34.85 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 41.2 m-85 -152.42 139.61 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 65.8 m-85 -115.45 174.25 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -101.06 106.81 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -81.14 -73.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -145.27 143.5 20.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.421 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.74 166.9 26.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.54 124.04 87.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.11 62.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 155.25 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -99.3 86.27 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.3 t -123.21 80.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.45 146.9 8.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.2 25.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.8 p -61.33 176.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.5 p -47.63 169.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -115.69 -50.48 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 m -86.54 -59.24 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.07 50.06 40.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -116.13 125.87 52.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -78.14 99.1 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.62 -158.07 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -119.63 127.05 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.311 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -120.03 98.25 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -115.35 156.08 26.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.12 144.31 51.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.16 -32.14 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.77 19.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.48 34.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 51.9 mmtt -81.5 137.99 35.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.315 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 18' ' ' TRP . 16.3 tt -44.94 -43.78 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 42.6 p-90 -76.44 -38.06 56.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -64.06 122.82 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -123.13 93.12 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.87 -17.19 11.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -76.43 -55.7 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 31' ' ' LEU . 27.8 pt -51.25 -176.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -123.7 158.72 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -42.34 -56.85 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -52.31 -55.73 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -46.68 55.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.63 -39.19 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -67.25 -53.82 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -59.74 -31.8 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 23' ' ' ILE . 11.2 mt -64.57 -61.44 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.3 mt -58.0 -12.47 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.5 -19.21 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -112.65 -74.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 5.1 m -69.13 -44.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . -81.64 143.89 23.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' OG ' ' A' ' 40' ' ' SER . 12.1 mm-40 -115.11 -177.03 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -57.43 -12.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -120.03 34.15 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 37' ' ' GLN . 53.8 p -132.9 141.16 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -136.55 173.23 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 pp -163.73 144.68 8.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.17 124.05 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -123.81 140.34 34.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.72 26.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.431 ' CB ' ' CG ' ' A' ' 52' ' ' ASP . 1.8 m -86.94 143.77 27.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' ASN . 17.5 p-10 -94.08 -38.06 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ASP . 41.0 m-20 -35.58 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 50' ' ' PRO . 89.2 m -94.82 139.09 22.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.74 93.27 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.366 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.12 30.77 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' CG ' ' CB ' ' A' ' 46' ' ' SER . 28.5 p30 -107.69 171.74 7.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.79 162.75 34.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -154.05 132.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 56' ' ' TYR . 10.3 tt -99.54 150.6 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.448 ' N ' HD21 ' A' ' 55' ' ' LEU . 14.4 m-85 -127.46 144.35 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -149.12 146.1 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 14.0 tpt180 -99.99 130.31 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.1 p -125.4 169.9 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.03 -31.36 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -84.45 -67.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -165.26 162.57 19.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.18 121.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -86.04 -176.55 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -152.53 125.47 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -109.52 153.24 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -110.32 135.75 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.3 mt -128.1 118.09 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.0 143.38 26.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.07 25.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.413 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 73.0 p -140.31 146.08 44.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.31 23.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -93.46 25.96 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 55.37 47.87 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.04 178.01 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -127.72 131.53 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.413 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 5.3 mtm -96.4 130.54 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -41.99 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.6 54.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.13 17.03 80.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -135.31 146.98 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -92.72 135.18 34.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASN . 43.3 m-85 -128.28 143.99 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' TYR . 24.2 m-80 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -170.91 162.01 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.413 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 25.9 mt -40.05 -54.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.4 -41.58 32.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.47 -55.78 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 77.9 mt -37.73 -41.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.94 -65.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -43.89 -44.14 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -60.95 -39.51 89.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.36 -38.17 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -47.35 -31.34 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -101.3 -20.48 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.49 119.05 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.606 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 1.1 pt20 -47.31 120.36 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.3 tt -79.71 -31.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.99 -175.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -83.4 36.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.49 33.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -150.58 142.62 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.921 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.606 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 29.0 m-85 -117.8 169.46 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.86 99.12 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -73.15 -72.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -143.6 143.92 25.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 118.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.98 6.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.29 174.19 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.443 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 15.1 mp0 -108.43 84.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.23 115.31 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -106.04 -59.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.6 t -87.14 156.26 19.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.78 162.67 11.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.8 27.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.7 p -165.16 160.77 18.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.9 p -71.86 119.32 15.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -73.74 -56.63 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 p -74.97 96.43 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.58 -136.62 5.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -170.34 118.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -46.39 123.98 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.85 163.87 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -119.47 108.12 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -78.94 140.02 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -119.7 177.96 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -133.74 154.83 80.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.06 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.419 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -46.36 -39.61 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -45.48 129.48 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.38 -40.32 2.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 61.1 mmtt -49.44 139.98 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 tt -66.17 -40.93 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.54 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.5 p-90 -70.03 -14.24 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 74.2 t80 -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 18.3 m-70 -150.53 124.65 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.94 -32.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -64.01 -43.39 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.2 pt -68.25 -175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 t -118.08 -174.98 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -69.67 -52.01 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -61.23 -38.66 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -48.13 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.09 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.28 -44.9 92.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' THR . 6.2 m-20 -67.57 -45.74 74.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 28.0 mt -57.82 -13.24 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -102.48 -13.82 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASN . 12.1 p -111.03 -75.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 108' ' ' VAL . 2.7 m -75.47 -36.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 37' ' ' GLN . . . -70.93 -170.68 10.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 82.8 mt-30 -159.79 -176.81 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.86 -0.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 m -132.87 42.1 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -147.64 153.42 39.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -147.35 -178.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.57 152.65 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.7 t -109.0 132.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -132.38 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.7 16.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 2.8 m -60.1 128.58 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 10.4 t0 -83.35 156.34 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 9.4 p30 45.42 27.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.4 HG22 ' CG ' ' A' ' 52' ' ' ASP . 2.0 m -138.61 129.64 15.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.707 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.6 Cg_endo -69.76 124.94 11.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 37.35 71.64 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 0.5 OUTLIER -141.81 161.71 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -148.49 162.97 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -151.76 135.75 16.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.9 tp -90.45 161.89 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 27.3 m-85 -143.33 112.45 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.09 146.97 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' NH1' ' HE3' ' A' ' 33' ' ' MET . 10.0 tpt180 -100.5 144.36 29.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.4 p -141.09 172.27 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -43.63 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.09 -68.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -165.32 157.63 15.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.66 122.89 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -105.37 165.02 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -144.57 157.11 44.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -129.28 168.65 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -119.55 136.74 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.84 121.27 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.69 140.55 21.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 167.08 25.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.1 p -142.18 144.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.13 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -95.44 22.21 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 59.02 31.77 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -131.87 -176.53 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.28 139.95 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 mtp -108.56 128.64 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 ttt -128.29 100.32 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.54 -58.55 4.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.48 32.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -135.98 177.26 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -125.03 132.58 53.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -132.54 137.58 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -41.77 -49.54 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -164.98 161.09 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -47.59 -49.22 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.31 -38.64 12.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.34 -54.01 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.508 HG22 ' CE2' ' A' ' 93' ' ' TYR . 8.4 mt -37.05 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mp -64.87 -54.73 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.73 -27.22 69.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.07 -37.26 64.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 89' ' ' ILE . 10.4 m-85 -78.71 -37.65 41.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -46.9 -27.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -109.03 -11.24 14.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -123.68 117.46 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.5 pt20 -46.75 115.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.9 tt -77.14 -18.89 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.38 -174.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.63 36.29 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -151.83 139.37 19.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.51 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 53.1 m-85 -117.16 163.02 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -87.82 98.54 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -74.19 -71.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.68 136.98 11.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.35 42.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 35' ' ' VAL . 7.2 p -66.54 133.9 94.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 171.78 13.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.2 mtm -101.63 -177.18 3.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -127.41 84.35 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -39.0 133.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -107.0 -67.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 t 54.11 28.94 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -173.92 127.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.3 11.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 m -97.62 108.16 20.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.6 p -68.23 155.39 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -126.27 128.25 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -66.14 86.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.48 63.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -61.15 -51.65 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -104.36 143.69 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -144.4 92.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.0 ttm180 33.81 47.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -139.82 136.09 33.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -124.5 138.12 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 5.6 t70 -122.47 140.68 33.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -59.08 -37.43 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.87 42.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.27 -32.99 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 38.0 mmtt -44.12 143.55 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.14 -30.32 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.506 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 47.0 p-90 -81.45 -28.33 34.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -78.42 132.45 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -132.07 118.56 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -29.66 1.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -41.73 98.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 pt -69.59 172.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -111.58 175.94 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' NH2' ' A' ' 44' ' ' ARG . 30.3 tttm -57.88 -53.43 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 -59.06 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.9 mt-10 -45.13 -56.1 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -35.44 -49.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.09 -46.99 82.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.8 m-20 -65.69 -41.2 92.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 mt -54.09 -65.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 11.2 mt -49.41 -18.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' NH1' ' A' ' 58' ' ' ARG . 93.2 mmm -91.1 -28.97 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.7 p -103.7 -74.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.64 -45.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.25 -170.54 30.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.49 178.57 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 14.4 p -70.75 1.16 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.7 20.69 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -133.8 158.02 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 104' ' ' LEU . 2.0 p90 -144.7 179.78 7.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 pp -166.84 158.39 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.22 133.21 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ttt-85 -138.54 140.09 26.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -58.64 170.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -116.77 -54.28 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -50.52 -52.63 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 m -92.52 118.33 67.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 101.18 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.51 34.37 3.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -124.37 177.13 6.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 45' ' ' PRO . 70.3 m-85 -147.62 174.17 12.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -161.04 143.12 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 tp -96.83 139.21 33.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 73.6 m-85 -120.31 106.27 11.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -120.39 143.75 48.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 10.5 tpt180 -101.02 135.3 42.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' GLU . 72.8 p -119.41 150.42 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' HG22 ' A' ' 38' ' ' VAL . 18.2 p30 -33.79 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' THR . 33.7 tt0 -82.21 -74.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -149.29 -176.08 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.5 mt -84.69 133.42 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -96.54 -178.78 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -149.5 113.64 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.21 179.01 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -131.66 137.59 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.5 mt -131.59 118.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.42 135.22 21.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.76 41.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 31.8 p -107.9 148.93 38.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.06 11.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -105.43 50.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ASN . 75.6 m-80 37.09 51.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -151.31 -175.69 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -128.99 160.52 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.464 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 37.1 mtp -118.43 118.71 32.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 84.64 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.56 61.54 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.84 38.9 60.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.22 169.32 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.4 130.23 42.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.423 ' CD1' HG12 ' A' ' 89' ' ' ILE . 91.3 m-85 -138.09 146.6 43.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.41 -48.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ILE . 3.2 m -172.88 157.85 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . 76.6 mt -34.45 -52.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.49 -45.42 17.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -64.44 -54.74 27.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.423 HG12 ' CD1' ' A' ' 83' ' ' TYR . 87.3 mt -37.07 -31.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 71.7 mt -71.47 -62.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.3 -38.35 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -64.57 -44.56 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.535 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 10.8 m-85 -68.33 -31.04 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -50.94 -36.76 40.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -99.28 -12.33 20.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -125.73 116.47 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 78.5 mt-30 -54.23 111.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.535 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 9.1 tt -61.83 -35.78 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' GLY . 1.7 t -104.76 178.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' VAL . 17.0 pt-20 -35.26 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.58 50.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.443 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 12.0 m-85 -126.47 145.91 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 28.4 m-85 -116.07 156.59 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 41' ' ' PHE . 90.7 mt -87.3 91.61 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -60.91 -69.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.81 142.08 15.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.37 62.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -54.42 122.21 36.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 162.82 40.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.8 mtm -96.9 -174.9 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -112.9 36.07 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 113' ' ' GLN . 28.0 t0 -41.51 134.47 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 112' ' ' ASP . 32.4 mm-40 35.57 46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -39.33 -36.75 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.55 147.26 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -43.95 2.29 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -43.68 101.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.5 t -63.47 -38.6 91.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -97.84 121.95 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.837 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -90.32 136.7 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.61 67.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.551 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -160.16 165.21 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLY . 54.2 p -154.5 124.65 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 37.47 52.14 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.454 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.4 ttp85 -34.79 107.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.61 163.61 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -119.26 131.91 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 146.12 32.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.577 0.703 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -44.33 2.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.35 -37.61 56.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.98 131.09 41.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.83 -25.26 6.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -49.38 145.11 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -68.75 -32.54 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 p-90 -84.34 -13.0 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -89.22 143.03 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -135.15 115.73 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 -20.76 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -78.61 -42.48 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 31' ' ' LEU . 32.7 pt -66.27 -175.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -126.03 173.87 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -53.34 -55.36 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -56.02 -58.83 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.18 -46.28 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.5 -35.72 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.21 -50.33 34.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -28.36 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 23' ' ' ILE . 54.9 mt -65.98 -52.5 48.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.96 -8.52 49.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -96.75 -24.13 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -115.44 -75.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.04 -20.8 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.47 -160.34 35.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -159.92 179.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.25 -7.79 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.4 m -134.86 35.71 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -111.81 142.93 43.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 104' ' ' LEU . 5.6 p90 -138.15 168.05 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 42' ' ' LEU . 4.5 pp -165.32 155.14 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.92 134.39 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.593 ' NH2' ' CE2' ' A' ' 56' ' ' TYR . 8.8 ttp85 -143.35 139.99 17.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -56.94 147.06 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.38 -51.46 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.42 -37.95 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -104.35 93.56 5.89 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 113.67 3.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.94 7.31 23.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.45 172.35 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -125.96 176.41 7.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -160.51 129.39 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -86.86 152.31 22.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 44' ' ' ARG . 17.2 m-85 -129.64 107.58 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -114.76 158.69 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -113.89 144.45 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -145.03 164.56 30.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -47.56 -44.6 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -67.14 -72.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -167.42 157.04 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -54.7 134.5 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.88 178.09 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.496 ' HD3' ' CE2' ' A' ' 56' ' ' TYR . 42.5 mtm180 -151.51 117.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD2' ' HE2' ' A' ' 78' ' ' MET . 15.9 m-85 -93.82 160.6 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -120.66 105.08 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.4 mt -99.21 115.76 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.73 134.57 19.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 p -106.73 148.98 37.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.65 36.39 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -85.85 22.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.5 t30 59.73 42.16 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.9 172.29 12.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -115.29 154.28 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.5 mtp -122.01 129.24 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.529 ' HE2' ' CD2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -140.13 105.43 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.83 47.96 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 34.2 80.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -132.81 177.27 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -131.08 145.73 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.498 ' CG ' HG12 ' A' ' 89' ' ' ILE . 68.5 m-85 -149.84 166.68 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -63.84 -47.79 79.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.1 p -174.61 160.02 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLY . 82.0 mt -39.29 -66.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.81 -52.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' ILE . 26.9 m-20 -62.48 -57.82 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.498 HG12 ' CG ' ' A' ' 83' ' ' TYR . 89.9 mt -34.67 -32.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 88' ' ' ASP . 65.3 mt -72.23 -49.35 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' ASP . 4.8 m-20 -60.71 -29.47 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -74.68 -39.16 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.442 ' CE2' HD11 ' A' ' 98' ' ' ILE . 7.3 m-85 -74.19 -36.96 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -108.62 -5.38 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -130.1 115.21 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 58.3 mt-30 -44.2 108.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.442 HD11 ' CE2' ' A' ' 93' ' ' TYR . 12.9 tt -65.22 -25.73 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -117.8 -174.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -80.72 40.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.3 37.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.447 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -147.86 134.06 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' A' ' 97' ' ' GLN . 9.3 m-85 -109.43 169.95 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 41' ' ' PHE . 33.5 mt -102.4 97.82 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -68.79 -74.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.71 143.88 17.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -179.95 3.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.385 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -98.27 127.98 34.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.31 66.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.94 165.64 16.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 1.6 mp0 -98.76 147.25 25.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.99 129.58 42.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 113' ' ' GLN . 25.3 mp0 -126.85 161.7 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.3 m -119.39 79.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.28 146.04 9.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.1 4.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 m -39.9 101.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -40.75 108.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -155.58 162.5 40.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -42.33 -57.99 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.46 177.87 19.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -132.51 158.39 42.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -91.7 92.63 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.38 -175.02 39.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -83.48 92.62 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -127.81 99.31 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -124.1 176.42 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.94 153.78 47.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.63 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -44.0 -43.07 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.62 154.36 42.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . 98.82 -39.48 2.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.9 mmtm -36.68 135.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.88 -41.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CE3' ' N ' ' A' ' 19' ' ' PHE . 44.7 p-90 -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' N ' ' CE3' ' A' ' 18' ' ' TRP . 23.4 t80 -71.09 123.8 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.98 81.25 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.96 -17.79 31.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -71.03 -48.64 51.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 42.8 pt -61.8 -176.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 m -125.45 176.91 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -62.01 -46.47 89.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -63.71 -56.04 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.61 -59.87 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -34.8 -53.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -49.01 -50.7 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.23 -37.57 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.19 -64.12 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.5 mt -49.68 -22.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 58' ' ' ARG . 87.6 mmm -88.22 -27.88 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -106.04 -75.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 m -63.41 -38.22 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.96 158.3 24.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 40' ' ' SER . 53.2 mt-30 -146.06 -175.35 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -45.63 146.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.2 m 63.39 29.4 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 11.2 t -119.94 144.44 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -145.27 170.16 16.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 pp -172.51 142.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG11 ' N ' ' A' ' 44' ' ' ARG . 90.0 t -95.17 159.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' N ' HG11 ' A' ' 43' ' ' VAL . 13.5 mtp-105 -150.51 127.92 5.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' SER . 53.9 Cg_endo -69.75 114.34 3.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' PRO . 19.8 t -37.66 137.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.12 -39.77 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -71.74 -72.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.4 m -77.92 125.64 85.15 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 4.72 2.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.99 69.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 10.4 t70 -173.45 161.53 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 52' ' ' ASP . 13.9 m-85 -143.01 165.17 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.7 m -140.7 131.46 25.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.9 tp -96.95 142.16 29.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 82.4 m-85 -126.76 118.46 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -115.22 139.24 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 21.6 tpt180 -104.73 125.26 50.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -130.6 158.72 39.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -54.17 -27.93 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -78.59 -64.54 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 23.2 p30 -170.92 154.49 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.56 122.82 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -72.01 -173.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -166.29 114.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -120.76 173.47 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -133.56 147.75 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.86 117.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.24 140.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.58 49.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.9 p -128.77 150.15 74.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.548 0.69 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.77 5.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -113.12 45.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m120 38.96 48.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -140.74 179.25 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -130.11 139.45 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.4 mtp -111.86 119.69 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.2 ttt -118.08 85.18 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.71 -65.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.1 34.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -138.01 173.27 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -125.63 133.1 52.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CD2' HG12 ' A' ' 89' ' ' ILE . 94.0 m-85 -134.4 138.86 45.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.14 -57.15 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.2 t -143.98 142.02 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 85' ' ' SER . 97.7 mt -34.04 -58.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.57 -52.87 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -54.12 -51.54 63.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.54 HG12 ' CD2' ' A' ' 83' ' ' TYR . 81.2 mt -41.07 -35.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mp -70.25 -47.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.18 -28.82 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -76.0 -56.58 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.46 ' CB ' HD13 ' A' ' 104' ' ' LEU . 7.4 m-85 -49.99 -37.78 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -49.82 -30.43 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -97.99 -28.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.23 115.53 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -50.62 114.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.427 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 13.5 tt -67.82 -18.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLU . 2.3 t -124.84 174.44 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' VAL . 14.2 pt-20 -35.08 -36.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -171.9 59.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -143.23 143.76 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.66 146.16 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 93' ' ' TYR . 64.5 mt -72.35 108.28 5.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -82.47 -67.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.97 137.78 12.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -82.65 129.84 60.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 146.18 59.45 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 110' ' ' MET . 0.0 OUTLIER -91.76 156.44 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.68 133.54 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 112' ' ' ASP . 28.2 t70 -89.87 39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -106.73 39.57 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.4 t -46.83 125.76 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.69 145.39 4.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 104.77 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.2 t -81.05 99.05 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 p -60.01 -46.18 90.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -152.31 175.02 13.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -124.08 123.32 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.23 87.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -81.67 130.19 34.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -87.71 -45.39 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.45 135.63 4.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -149.96 155.57 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -46.37 135.35 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.2 115.83 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -96.24 149.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -41.79 3.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -49.43 -35.32 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -90.13 -12.87 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.41 25.47 24.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 42.4 mmtt -79.53 162.94 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -85.1 -24.75 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CH2' HG21 ' A' ' 86' ' ' ILE . 50.9 p-90 -85.89 -33.29 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -64.8 150.73 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -151.02 105.9 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.74 -30.31 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.28 -53.69 53.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 31' ' ' LEU . 16.7 pt -58.95 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -108.65 -177.29 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -65.75 -49.08 69.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.85 -50.98 66.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -44.93 -46.51 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -51.1 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -47.64 -37.68 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.33 -39.38 28.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD23 ' NE2' ' A' ' 111' ' ' GLN . 12.5 mt -57.37 -35.1 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.23 -3.48 58.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -109.05 -16.77 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -111.89 -69.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 33.8 m -79.73 -26.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.04 167.8 26.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.73 -178.5 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' O ' ' CZ ' ' A' ' 57' ' ' PHE . 96.7 t -63.26 -10.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -117.65 28.22 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -128.88 143.29 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -131.77 175.37 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 pp -163.49 157.82 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 44' ' ' ARG . 23.4 t -121.39 143.69 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -140.99 147.45 47.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.05 14.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -56.79 112.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.83 -55.19 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -53.01 -49.99 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -114.27 120.63 37.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.569 0.7 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.26 19.05 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.58 -43.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 176.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -140.58 163.03 33.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m -145.25 121.85 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 56' ' ' TYR . 5.3 tt -94.24 162.34 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 61.8 m-85 -145.26 123.33 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 44.5 t80 -130.07 143.31 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 17.2 tpt180 -91.81 137.7 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 p -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -53.76 -56.92 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -65.09 -61.06 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -172.37 -179.85 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.94 134.96 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -95.95 -179.56 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -142.05 116.56 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.19 174.05 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -137.62 113.8 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -108.6 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.8 133.85 31.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.77 67.47 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.26 . . . . 0.0 112.406 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -128.06 144.77 52.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.45 30.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -87.72 21.48 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.94 42.36 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -139.5 -175.97 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.504 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.9 m-85 -131.32 140.83 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.0 mtp -115.3 111.66 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 93' ' ' TYR . 7.3 ttt -112.74 -41.37 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.36 65.98 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.07 12.18 42.35 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -119.92 176.39 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.76 118.36 20.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -116.82 172.66 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -72.97 -54.99 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 91.3 p -165.1 169.52 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.527 HG21 ' CH2' ' A' ' 18' ' ' TRP . 73.6 mt -45.87 -57.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.29 -47.68 5.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.46 -56.66 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 93' ' ' TYR . 30.3 mt -39.8 -46.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.9 mt -58.63 -55.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.95 -43.77 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -63.52 -55.06 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.5 m-85 -52.38 -39.94 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -53.17 -25.82 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -92.23 -27.33 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 97' ' ' GLN . 25.6 mp0 -125.37 114.34 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.603 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 3.7 pt20 -34.65 117.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 tt -71.99 -24.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.3 t -115.52 178.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -39.54 -41.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.92 38.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.422 ' CE1' HG12 ' A' ' 38' ' ' VAL . 29.2 m-85 -126.15 137.7 53.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.603 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 47.3 m-85 -110.88 154.68 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.98 102.15 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -77.65 -71.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -149.74 139.15 13.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.91 58.88 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.6 t -70.52 120.17 77.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.01 58.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.51 176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 8.3 mp0 -112.13 73.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.91 96.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -110.27 144.9 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.5 m -126.1 30.79 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.83 -152.97 6.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.64 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 t -36.67 130.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.2 t -95.11 -177.25 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -166.27 173.3 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m 53.73 41.8 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.93 59.29 6.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -97.7 140.55 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -62.62 -32.35 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.58 138.61 14.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 113.59 13.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -86.59 138.23 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -107.37 117.47 34.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 4.3 t70 -151.63 141.36 14.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 53.5 Cg_endo -69.72 -30.4 22.52 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.76 -42.45 99.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -88.38 33.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.64 18.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 66.6 mmtt -64.61 162.48 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.33 -30.79 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.8 p-90 -87.31 -20.64 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 49.2 t80 -80.26 162.78 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 11.1 m-70 -154.89 117.7 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.67 -34.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.47 -40.62 96.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD13 ' CD1' ' A' ' 31' ' ' LEU . 19.5 pt -73.96 -175.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -127.6 164.73 21.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' N ' ' NH2' ' A' ' 44' ' ' ARG . 36.4 tttm -51.52 -42.17 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.68 -46.9 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.44 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.4 -49.78 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -71.81 -40.79 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 14.7 mt -55.53 -49.92 71.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 4.4 mt -67.16 -17.4 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 47.0 mmm -95.56 -17.57 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -108.9 -59.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 27.5 m -86.46 -30.08 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -85.09 156.13 30.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' C ' ' HG2' ' A' ' 58' ' ' ARG . 40.3 mt-30 -131.87 -174.94 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.3 p -63.35 -2.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.409 ' H ' ' C ' ' A' ' 37' ' ' GLN . 82.5 m -135.0 46.05 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -148.65 140.13 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE2' HD12 ' A' ' 55' ' ' LEU . 8.5 p90 -137.77 179.09 6.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -163.37 155.89 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.25 142.45 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH2' ' N ' ' A' ' 25' ' ' LYS . 3.3 ptm85 -153.47 154.28 30.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.06 52.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 172.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.26 114.09 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m120 40.08 39.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 m -131.25 91.95 34.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 88.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.5 -25.06 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 4.7 m-20 -101.27 177.54 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 51.1 m-85 -158.72 172.29 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -165.18 141.71 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD12 ' CE2' ' A' ' 41' ' ' PHE . 7.6 tt -97.12 151.55 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 7.7 m-85 -129.15 120.16 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -131.96 136.82 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HG2' ' C ' ' A' ' 37' ' ' GLN . 5.4 ttt180 -94.89 141.05 29.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.9 p -120.77 165.51 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' ND2' ' OH ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -52.25 -16.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.0 -75.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.03 163.96 38.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -67.86 135.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -102.95 -175.79 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -146.33 127.46 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -105.67 -177.01 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -142.87 122.26 13.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.68 98.87 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.7 m -85.4 140.8 36.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -129.52 151.42 77.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.74 14.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . 20.8 m120 -102.0 43.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ASN . 8.8 m-20 37.75 40.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -138.25 -178.42 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.81 147.95 50.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 mtp -112.53 126.85 55.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.2 ttt -133.27 97.44 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.58 52.83 6.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.75 33.04 66.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -128.73 157.4 41.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.86 137.58 54.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.527 ' CD1' HG12 ' A' ' 89' ' ' ILE . 96.6 m-85 -145.04 137.45 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -39.69 -53.65 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' ILE . 14.0 t -158.24 156.31 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 85' ' ' SER . 93.9 mt -36.28 -58.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.14 -46.6 1.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -58.61 -59.27 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.527 HG12 ' CD1' ' A' ' 83' ' ' TYR . 61.5 mt -35.84 -41.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.65 -68.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -44.06 -30.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -74.5 -45.59 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 98' ' ' ILE . 5.7 m-85 -61.44 -43.03 99.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -40.94 -40.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -97.88 -18.23 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.16 116.89 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.53 119.21 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 93' ' ' TYR . 3.8 tt -74.99 -27.94 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 101' ' ' GLY . 1.7 t -118.46 178.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' VAL . 9.6 pt-20 -37.26 -32.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -175.77 56.57 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.416 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 23.3 m-85 -140.53 151.03 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.924 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -118.19 170.75 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -106.63 99.71 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -68.23 -68.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -150.73 142.67 15.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.78 169.45 18.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.63 132.74 51.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.41 63.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.19 144.6 31.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -76.29 94.18 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.61 117.93 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -82.6 118.72 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.8 p -106.32 71.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 113.73 149.38 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.01 3.74 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t -52.45 -60.29 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.4 m -83.56 112.86 20.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -116.75 88.12 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -149.79 148.6 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -87.82 82.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLY . 16.1 m 34.34 48.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -105.11 129.55 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 93.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.13 125.49 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.898 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -134.73 164.5 27.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.5 33.59 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -73.54 149.44 88.56 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -40.03 5.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -56.65 -34.44 67.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -79.71 92.2 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.45 -25.64 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -48.63 155.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.17 -38.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.457 ' CH2' HG23 ' A' ' 86' ' ' ILE . 29.8 p-90 -74.39 -16.95 60.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -82.29 141.77 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -140.13 108.5 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.32 -19.02 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.66 -45.91 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 31' ' ' LEU . 10.9 pt -66.51 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -115.35 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -67.15 -47.25 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -59.59 -47.78 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.52 -50.0 73.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.82 -41.18 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -62.65 -60.82 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -53.68 -39.12 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 23' ' ' ILE . 11.7 mt -59.48 -60.24 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 16.0 mt -63.69 -8.24 9.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -97.92 -24.41 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 p -112.12 -73.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 36' ' ' GLY . 21.8 m -65.11 -24.29 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -92.29 -176.52 41.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' CYS . 15.2 tt0 -157.11 164.94 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 48.4 t -43.13 -22.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' GLN . 8.8 m -112.25 45.48 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -138.42 135.48 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 3.3 p90 -128.8 164.92 21.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 1.1 pp -164.2 138.12 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.11 150.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -156.11 139.57 11.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.26 15.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 t -53.56 119.67 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -66.32 -64.13 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.43 121.05 56.26 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 109.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.74 -41.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -62.79 171.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -143.98 167.03 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -158.99 133.64 8.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.4 tp -86.78 152.5 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 14.7 m-85 -131.72 102.94 6.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 31.8 t80 -114.59 146.22 41.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 11.7 tpt180 -94.72 137.97 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.8 p -135.62 155.44 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -43.09 -36.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -76.8 -72.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -165.8 152.22 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.76 122.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -91.06 179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -148.48 128.76 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -109.32 142.76 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.4 130.89 42.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.01 102.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.88 134.79 24.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.79 51.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.268 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.401 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 47.0 p -109.12 148.49 38.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.1 20.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.36 38.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 34.7 t30 48.54 40.27 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.48 -175.21 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -131.95 154.02 49.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.401 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 38.4 mtp -116.06 123.36 47.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.4 ttt -134.38 90.56 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.19 49.33 4.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.93 28.4 66.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -125.69 158.16 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -120.01 122.26 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.44 ' CG ' HG12 ' A' ' 89' ' ' ILE . 62.6 m-85 -123.11 162.46 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 4.8 p-10 -66.38 -53.76 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.1 p -155.69 151.03 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 HG23 ' CH2' ' A' ' 18' ' ' TRP . 26.1 mt -39.02 -61.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.63 -42.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.75 -50.8 65.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.44 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.5 mt -42.81 -29.03 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 86' ' ' ILE . 5.1 mp -77.09 -45.97 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.31 -33.15 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -75.27 -36.46 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.89 -27.7 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -57.11 -13.67 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.1 -17.85 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -112.6 145.65 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -70.54 103.85 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 tt -66.25 -23.54 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 101' ' ' GLY . 2.0 t -121.57 173.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' VAL . 4.4 pt-20 -36.42 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -174.62 56.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -139.73 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.13 151.58 47.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.8 mt -83.57 107.21 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -77.68 -70.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -154.47 142.81 14.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.46 12.61 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.44 127.88 74.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 146.42 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 mtp -68.77 166.83 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -114.89 69.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 154.24 27.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 45.91 35.03 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.7 m -115.93 102.98 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.3 157.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 118' ' ' SER . 53.8 Cg_endo -69.77 -16.48 37.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.6 m -39.69 96.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PRO . 54.5 m -75.25 162.63 28.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -87.28 95.86 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -89.72 176.11 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -111.27 -56.49 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -101.86 82.84 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.63 173.1 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -160.64 154.75 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -60.27 151.96 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -122.46 175.58 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.68 153.69 47.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.43 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -44.81 -43.19 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -80.06 133.1 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.52 -42.3 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 55.0 mmtt -39.83 139.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -66.79 -35.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.476 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 36.9 p-90 -79.31 -16.35 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.68 147.14 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -144.24 105.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.04 -9.06 6.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -28.46 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.301 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 31' ' ' LEU . 18.6 pt -79.5 173.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -119.34 155.86 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.23 -65.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -45.16 -57.17 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' ASN . 3.2 mm-40 -49.8 -55.99 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -35.62 -51.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -55.77 -46.22 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 t30 -73.7 -21.94 60.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 23' ' ' ILE . 38.6 mt -70.64 -58.49 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -53.34 -26.78 20.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.42 ' SD ' ' NH1' ' A' ' 58' ' ' ARG . 90.2 mmm -78.83 -32.53 46.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 p -104.11 -70.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 36' ' ' GLY . 26.5 m -64.24 -26.22 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -107.02 171.5 16.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -152.72 175.05 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.3 136.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.5 m 66.09 46.42 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 m -136.54 139.18 42.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 11.1 p90 -129.13 173.98 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 pp -163.02 140.54 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.1 t -98.56 134.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -150.26 139.65 13.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.62 28.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 t -50.73 165.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -110.41 -50.13 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.02 -53.86 52.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.4 m -104.86 115.74 62.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.569 0.7 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.374 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.71 13.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.03 163.64 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -131.9 156.68 45.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -147.24 124.61 11.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -95.9 144.01 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 28.5 m-85 -117.81 157.57 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -148.62 136.55 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 13.8 ttt85 -107.98 125.49 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 p -121.93 151.81 40.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.87 -61.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -166.26 -178.68 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 64' ' ' GLN . 61.2 mt -95.69 139.53 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' N ' HG22 ' A' ' 63' ' ' ILE . 30.3 mt-30 -111.11 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 18.6 ttp180 -154.06 125.35 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.25 -179.13 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 148.87 52.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.13 110.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.08 134.77 21.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.05 62.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -122.02 149.29 53.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.86 37.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -87.46 42.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 m120 38.07 53.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -147.7 -178.48 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.4 mtp -107.64 117.83 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 72.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.75 -71.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.42 17.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -122.75 171.34 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -115.54 138.97 50.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.2 162.53 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -68.23 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 p -151.08 154.55 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 80.3 mt -40.33 -47.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.44 -45.09 8.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -67.87 -52.6 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 88' ' ' ASP . 73.5 mt -39.79 -30.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.478 HG12 ' CZ ' ' A' ' 41' ' ' PHE . 52.9 mt -71.13 -52.82 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -65.82 -40.91 92.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -57.37 -35.91 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.42 -37.23 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -41.05 -39.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -91.06 -26.5 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.42 114.26 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 2.9 pt20 -45.81 104.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.8 tt -58.11 -28.51 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 100' ' ' GLU . 1.7 t -113.46 173.24 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' VAL . 7.3 pt-20 -34.92 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.77 49.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -137.92 131.88 31.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 90.0 m-85 -109.3 139.0 44.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.16 107.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -79.21 -61.71 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -152.05 140.14 13.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.39 8.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -90.94 121.49 67.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -177.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.468 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -113.72 36.53 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -170.59 118.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -87.02 115.9 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.2 t -39.87 109.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.9 -158.53 29.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.84 36.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.9 t -51.78 122.99 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 p -105.69 164.61 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -110.72 97.98 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -159.48 123.86 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.36 -81.76 1.26 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 p -160.09 168.41 25.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.4 p -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.97 116.37 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.93 121.66 32.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.57 160.88 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.33 117.62 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -106.39 152.23 40.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.13 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -51.73 -38.7 56.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.0 pt-20 -82.65 -12.18 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.31 59.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 26.0 mmtm -48.39 132.65 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 18' ' ' TRP . 13.1 tt -67.84 -25.57 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 28.8 p-90 -86.26 -18.19 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 81.3 t80 -82.23 149.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -139.05 130.7 27.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.47 -32.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.431 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -44.79 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 31' ' ' LEU . 29.1 pt -64.59 -175.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -123.37 171.26 9.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -58.97 -54.49 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.9 -50.13 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.7 mm-40 -54.03 -58.87 5.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -33.72 -45.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.29 -51.24 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 42.3 t30 -64.97 -44.35 89.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 23' ' ' ILE . 18.5 mt -50.3 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 12.0 mt -49.29 -20.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 35' ' ' VAL . 65.6 p -104.36 -75.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.408 ' N ' ' OG1' ' A' ' 34' ' ' THR . 33.2 m -62.41 -42.57 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.29 163.53 39.37 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' H ' ' CB ' ' A' ' 40' ' ' SER . 2.8 tp-100 -123.8 175.28 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 81.0 t -52.7 -15.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -117.85 37.82 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 17.5 m -130.35 134.98 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -132.21 176.87 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -167.61 149.72 5.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.09 128.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.55 140.14 34.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 53.3 Cg_endo -69.78 144.27 53.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -90.3 141.26 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' ASN . 65.0 m-20 -89.26 170.45 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ASP . 17.8 m-20 36.19 44.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.54 149.18 33.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.95 35.64 18.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -85.73 164.64 17.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 54.2 m-85 -143.15 176.25 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -157.21 138.73 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -95.69 146.01 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 76.1 m-85 -124.33 129.67 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -146.12 148.14 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 5.9 tpt180 -99.2 146.8 25.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 63.9 p -142.38 171.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -58.82 -42.09 88.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -174.19 148.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.4 mt -42.78 129.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' NE2' HG13 ' A' ' 99' ' ' VAL . 29.8 mt-30 -94.87 165.09 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -137.88 122.39 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.07 159.92 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -112.85 129.51 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -118.25 110.68 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.3 t -101.47 134.35 20.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.95 67.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.396 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -121.81 147.27 48.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.9 17.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.58 25.87 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 56.68 42.21 27.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -137.39 -175.55 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -133.98 130.49 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.2 mtp -94.51 117.33 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -55.7 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.23 55.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.34 21.55 54.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.44 174.5 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -132.26 118.86 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.458 ' CD1' HG12 ' A' ' 89' ' ' ILE . 93.3 m-85 -119.57 137.44 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.3 -57.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.3 t -148.65 150.54 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' SER . 95.4 mt -35.04 -55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.21 -55.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -53.11 -50.09 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.458 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.5 mt -41.99 -39.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 mp -66.53 -64.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -45.83 -26.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.568 ' CD2' HD13 ' A' ' 98' ' ' ILE . 3.3 m-85 -57.9 -27.63 63.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 14.2 mtp-105 -61.38 -17.32 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -111.81 -12.29 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 4.1 pt20 -38.74 108.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.568 HD13 ' CD2' ' A' ' 93' ' ' TYR . 8.3 tt -69.74 -20.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -122.29 -174.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.21 39.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 137.42 38.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 22.4 m-85 -151.58 150.16 29.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 97' ' ' GLN . 10.7 m-85 -125.82 156.39 39.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.422 HD12 ' CB ' ' A' ' 93' ' ' TYR . 90.2 mt -78.51 102.59 7.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -72.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -148.61 138.0 12.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.736 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.77 159.77 52.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 109' ' ' PRO . 84.1 t -72.02 135.74 82.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' N ' HG12 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.76 153.96 68.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.258 . . . . 0.0 112.302 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -101.94 152.23 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -71.24 82.12 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -64.05 129.86 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.1 100.45 12.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -156.28 161.83 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.93 163.48 39.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 139.77 41.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -61.03 -61.88 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m -159.15 161.07 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -72.2 -66.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 t -94.17 80.85 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.61 178.61 16.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -127.16 -50.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -42.32 130.79 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 150.98 17.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -88.53 123.22 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.316 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -38.6 141.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.32 163.38 16.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.68 142.53 25.24 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -45.59 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -61.81 -19.8 62.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -96.4 24.56 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.14 17.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 59.6 mmtt -60.52 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 tt -53.97 -43.39 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CH2' HG22 ' A' ' 86' ' ' ILE . 28.4 p-90 -76.84 -14.78 59.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -85.05 146.05 27.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -144.25 111.95 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.53 -13.51 2.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -82.73 -29.72 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 pt -78.62 -175.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -117.71 166.84 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -58.28 -60.28 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.489 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 15.8 pm0 -54.1 -31.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.71 -54.46 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.46 -38.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.31 -41.52 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -77.98 -43.57 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 mt -50.58 -54.64 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.82 -26.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -88.17 -15.26 36.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -113.02 -74.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 36' ' ' GLY . 19.3 m -69.92 -28.12 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -101.36 173.68 24.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -155.45 -176.42 5.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' N ' ' HE ' ' A' ' 58' ' ' ARG . 2.9 t -45.93 144.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 m 62.74 42.51 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p -126.72 144.12 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -139.23 161.62 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 pp -158.62 149.92 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -107.43 149.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 1.9 mtp-105 -148.43 147.25 24.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.3 32.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -52.28 158.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.9 103.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 41.59 52.79 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 91.5 m -148.36 104.98 3.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 54.0 Cg_endo -69.71 126.15 13.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.91 -40.03 2.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.89 162.29 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -154.53 159.37 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -137.25 118.46 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -90.42 151.97 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 66.8 m-85 -133.58 120.09 20.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -115.2 150.1 36.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HE ' ' N ' ' A' ' 38' ' ' VAL . 18.3 ttt85 -116.72 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.1 p -134.74 162.06 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -49.69 -26.0 3.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.34 -69.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -166.1 157.63 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 127.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.65 159.54 16.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 29.0 ttp180 -130.34 144.64 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 98' ' ' ILE . 3.4 m-85 -117.41 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -138.24 130.68 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -119.78 106.44 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 98.1 m -93.81 139.78 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.93 51.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.459 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 38.1 p -136.52 149.54 67.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.88 36.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' ASN . 39.3 t30 -87.79 46.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' ASN . 12.8 m-20 34.13 54.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -150.52 -175.0 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -132.55 144.15 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' A' ' 71' ' ' THR . 36.8 mtp -106.65 119.69 39.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.08 107.01 6.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 42.62 17.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.81 38.02 94.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -140.43 179.74 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 14.8 m-85 -128.2 144.85 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 17.6 m-85 -142.51 146.42 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -56.34 -42.39 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.2 p -169.81 152.88 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' CH2' ' A' ' 18' ' ' TRP . 19.1 mt -41.42 -48.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.66 40.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -43.05 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.0 mt -47.27 -38.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.59 -64.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.58 -35.92 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -68.02 -51.1 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.23 -33.46 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -50.49 -26.7 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -110.8 -15.9 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -117.24 120.18 37.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 83.2 mt-30 -55.28 114.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.43 HD13 ' CE2' ' A' ' 66' ' ' PHE . 15.5 tt -69.97 -24.74 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -113.49 -174.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -72.95 2.79 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . 167.77 49.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 60.6 m-85 -154.78 130.83 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 12.6 m-85 -102.17 173.0 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.3 mt -96.84 87.91 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -58.68 -65.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.91 140.46 8.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.23 4.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.25 129.62 44.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.03 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 mtm -91.71 -177.12 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 112' ' ' ASP . 33.1 mm-40 -125.74 79.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' GLN . 4.2 t70 -36.78 109.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.792 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.69 141.49 37.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 t -106.79 -177.67 3.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 149.92 166.98 13.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.4 t 51.07 43.11 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.9 t -149.24 134.41 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.551 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 p -96.59 93.43 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -111.75 87.67 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.52 121.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 145.84 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -137.38 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.94 122.16 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -125.39 130.14 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -143.28 114.69 7.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.58 30.91 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' OE1' ' A' ' 14' ' ' GLU . 5.4 m-20 -94.34 149.85 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 Cg_endo -69.8 -42.05 3.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -45.86 -41.22 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 14' ' ' GLU . 8.7 mp0 -83.33 25.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' PRO . . . -168.79 41.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 17.2 mmmt -88.44 162.92 16.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.42 -29.64 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.472 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 46.2 p-90 -87.74 -23.23 24.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -82.37 134.4 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -140.86 105.5 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.77 -17.28 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -74.9 -46.27 37.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.8 -177.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 m -119.79 175.92 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -62.58 -55.54 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.41 -32.35 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.02 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.21 -33.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.48 -56.87 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -61.92 -35.95 79.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.0 mt -57.23 -62.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 5.9 mt -57.95 -18.28 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.9 mmm -86.65 -27.92 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.9 p -110.82 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 36' ' ' GLY . 27.1 m -60.2 -27.0 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -103.69 139.05 14.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -98.78 -177.46 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.82 -7.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.41 33.36 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -128.58 144.0 51.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -139.84 -177.09 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 pp -170.05 159.23 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -114.62 137.75 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -132.39 151.06 77.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.546 0.689 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.74 19.96 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . 4.2 m -62.07 109.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.34 -67.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -43.64 -55.22 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -108.99 122.57 39.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.693 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.72 43.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -47.53 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 1.7 m-20 -61.58 172.22 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -138.29 174.8 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -146.07 141.21 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -110.68 148.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.439 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 61.0 m-85 -135.09 123.64 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -126.7 143.63 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -93.76 127.68 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.5 p -126.03 151.15 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -46.97 -31.25 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.1 -72.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.7 142.52 7.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.0 mt -47.57 126.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -90.29 -176.59 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -157.23 116.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -103.22 174.17 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -133.09 125.62 29.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.8 mt -112.6 108.99 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -98.12 142.29 24.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 156.62 62.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.9 p -129.07 151.51 77.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.1 m120 -102.48 44.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p30 37.04 49.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -142.32 -179.4 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.34 132.64 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 mtp -95.09 128.84 42.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 97.95 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.11 -66.05 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.01 25.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 178.19 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.6 146.28 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -137.7 138.87 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.43 -42.95 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -175.02 168.17 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.434 HG21 ' CH2' ' A' ' 18' ' ' TRP . 44.1 mt -52.66 -63.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.55 -36.52 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.93 -45.39 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 93' ' ' TYR . 57.5 mt -45.43 -33.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -51.42 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -66.68 -24.05 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -79.19 -34.58 42.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.502 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.6 m-85 -79.2 -31.73 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -49.48 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 -12.02 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -126.44 121.38 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 3.1 pt20 -58.01 115.17 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.502 ' HB ' ' CD1' ' A' ' 93' ' ' TYR . 15.2 tt -68.04 -15.59 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 2.3 t -128.17 171.26 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' VAL . 15.1 pt-20 -36.74 -39.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -165.52 59.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.422 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 39.0 m-85 -148.71 131.22 15.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 98.5 m-85 -110.83 148.42 32.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.0 mt -76.66 113.02 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -80.0 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -154.5 141.26 13.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.43 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.86 149.95 66.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -57.78 124.19 67.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.54 7.95 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -177.11 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 6.2 mp0 -117.03 47.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' ASP . 26.7 t70 38.37 43.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.77 137.02 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.6 t -155.2 154.14 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.53 -172.3 48.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -40.38 5.33 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t 49.71 41.33 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.7 t -144.97 112.37 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 71.6 mmtt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 tt -81.03 -25.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 30.5 p-90 -85.97 -19.23 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -79.57 147.33 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -141.82 126.94 18.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.23 -37.84 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -58.65 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 31' ' ' LEU . 11.3 pt -73.85 -175.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -123.27 -178.43 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.08 -47.95 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -47.99 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.23 -50.26 71.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -41.64 -42.79 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -59.31 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -60.97 -21.35 63.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HG22 ' A' ' 35' ' ' VAL . 21.6 mt -72.27 -55.76 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.686 HD23 HG21 ' A' ' 108' ' ' VAL . 19.8 mt -57.98 -12.97 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.4 mtp -96.35 -26.61 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.6 p -105.88 -69.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.3 m -65.93 -24.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.27 -172.71 18.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.92 174.2 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' VAL . 4.7 t -38.49 140.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 38' ' ' VAL . 1.8 m 69.49 34.13 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 m -132.32 134.89 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -130.66 174.99 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.3 pp -165.21 145.6 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 55' ' ' LEU . 90.6 t -106.15 138.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 56' ' ' TYR . 3.6 ptm85 -140.43 143.59 33.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.38 7.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.752 2.302 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' CD ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -144.2 166.27 25.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 p -149.47 129.89 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 43' ' ' VAL . 2.8 tp -93.55 138.57 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 15.5 m-85 -121.27 105.58 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -101.95 149.97 23.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -117.35 125.28 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -127.48 149.21 50.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -33.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -72.57 -65.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -166.14 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.31 130.76 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -101.96 -175.23 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -159.51 115.15 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -96.15 166.94 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.03 126.59 51.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.76 95.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.97 141.54 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' CD ' ' OD1' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.72 146.66 61.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -114.6 150.0 43.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.44 4.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -111.64 38.61 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 44.37 51.27 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -148.32 177.95 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -122.98 147.42 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.86 132.27 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.6 ttt -139.31 111.66 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.54 43.71 95.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.34 28.36 68.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -115.76 175.11 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -148.37 110.3 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CG ' HG12 ' A' ' 89' ' ' ILE . 69.7 m-85 -116.71 162.74 17.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.22 -46.29 88.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -163.17 167.66 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' GLY . 10.1 mt -49.7 -64.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -35.81 -40.95 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ILE . 3.0 m-20 -67.26 -56.45 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.484 HG12 ' CG ' ' A' ' 83' ' ' TYR . 60.5 mt -35.41 -42.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.5 mt -68.32 -60.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -46.13 -31.0 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -75.98 -49.71 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.7 m-85 -56.13 -30.7 62.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.03 -12.25 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.16 -30.44 6.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -120.38 112.96 19.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.669 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 4.9 pt20 -40.85 131.59 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 99' ' ' VAL . 7.4 tt -85.01 -17.93 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.5 t -121.22 175.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.639 ' H ' HG12 ' A' ' 99' ' ' VAL . 12.4 pt-20 -50.0 -27.45 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.91 54.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 62.6 m-85 -146.8 147.46 30.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.669 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 52.7 m-85 -127.77 151.94 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.8 mt -79.36 109.79 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -86.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.99 139.03 12.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.3 Cg_endo -69.77 175.91 7.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.686 HG21 HD23 ' A' ' 32' ' ' LEU . 78.1 t -89.22 133.69 34.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.78 145.89 58.41 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 31.6 mmtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.64 -33.56 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 24.2 p-90 -77.66 -19.76 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 58.2 t80 -82.12 154.9 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -151.63 111.64 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -15.31 3.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -54.41 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 31' ' ' LEU . 18.4 pt -57.72 177.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -110.3 176.84 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -65.02 -29.02 69.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.36 -43.38 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -60.13 -40.12 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.92 -34.51 63.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.39 -53.18 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.9 m-20 -66.67 -41.5 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.657 ' CD1' HD13 ' A' ' 23' ' ' ILE . 19.3 mt -49.98 -58.76 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 17.0 mt -63.51 -12.54 33.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.694 ' HG2' HD11 ' A' ' 63' ' ' ILE . 60.8 mmm -104.72 -10.6 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ASN . 19.6 p -114.52 -63.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' LEU . 31.3 m -85.4 -23.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.9 21.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -116.18 -175.47 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 38' ' ' VAL . 88.0 t -65.07 -5.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -128.68 40.87 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -134.29 150.83 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.883 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.6 p90 -148.48 -179.33 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 171.3 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 55' ' ' LEU . 60.8 t -128.87 138.9 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 1.4 mtm105 -142.99 148.63 46.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 121.55 8.25 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.84 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -128.9 162.09 28.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -140.49 152.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.655 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -121.53 141.39 51.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 29.9 m-85 -125.85 118.76 26.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -123.58 149.18 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -107.62 122.23 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 p -117.23 179.65 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -67.88 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -83.27 -68.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -168.51 150.72 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.8 mt -51.99 125.34 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -92.93 -176.98 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -156.76 119.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -100.94 171.33 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -127.73 125.6 40.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.3 mt -109.51 122.66 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.9 t -115.25 134.12 22.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 156.59 62.82 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.328 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 77' ' ' MET . 74.7 p -132.93 151.8 78.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -105.02 41.28 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t30 40.6 45.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -141.34 -175.65 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.7 124.83 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.443 ' HG3' HG21 ' A' ' 71' ' ' THR . 38.7 mtp -89.11 119.82 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -64.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.74 -48.5 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.65 41.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -156.59 175.22 14.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -123.88 96.91 5.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -91.72 134.76 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -44.4 -40.24 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.3 p -164.33 168.08 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 90' ' ' ILE . 53.7 mt -54.89 -43.93 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.79 14.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -39.38 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 86' ' ' ILE . 83.3 mt -53.38 -32.24 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.5 mp -71.7 -69.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -51.22 -24.74 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -75.09 -54.64 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.42 -32.49 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -39.67 -35.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -29.78 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.22 121.57 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.6 pt20 -55.7 116.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 99' ' ' VAL . 9.3 tt -72.3 -18.82 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.4 t -121.11 176.58 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.644 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.3 pt-20 -56.14 -13.99 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -179.91 51.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 64.3 m-85 -154.96 131.3 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.516 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 96.6 m-85 -106.9 168.06 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.883 HD22 ' CD1' ' A' ' 41' ' ' PHE . 96.0 mt -91.65 96.34 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -67.42 -65.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -156.72 143.96 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.74 175.11 8.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.286 . . . . 0.0 112.382 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.33 126.72 59.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 173.32 11.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mtm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.0 mmtt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.4 tt -93.83 -28.39 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 15.1 p-90 -83.99 -37.4 22.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 57.6 t80 -61.93 120.36 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.56 92.38 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.19 -7.9 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -86.67 -39.5 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 24' ' ' SER . 1.2 pp -84.9 176.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 23' ' ' ILE . 71.7 m -120.57 150.82 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 44' ' ' ARG . 45.3 tttm -33.29 -59.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -41.28 -49.51 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 3.5 mp0 -65.59 -57.02 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -34.94 -35.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 10.4 m-85 -66.1 -50.11 65.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 34' ' ' THR . 2.8 m-20 -69.22 -20.91 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 28' ' ' ALA . 28.8 mt -71.42 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.54 -12.12 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -100.29 -28.12 13.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 30' ' ' ASN . 60.6 p -99.22 -72.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 36' ' ' GLY . 31.6 m -72.39 -47.46 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -80.39 169.89 52.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 38' ' ' VAL . 8.1 tt0 -156.49 174.97 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 37' ' ' GLN . 4.7 t -34.65 142.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 m 68.73 35.2 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.5 p -124.37 143.08 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -139.04 161.0 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -164.98 151.19 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.657 HG22 HD12 ' A' ' 55' ' ' LEU . 11.4 t -119.11 148.99 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.7 ptm180 -151.01 142.75 15.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 127.35 14.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -149.09 149.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -140.51 123.03 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD12 HG22 ' A' ' 43' ' ' VAL . 12.6 tp -76.43 153.57 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.401 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 45.3 m-85 -134.02 95.81 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.63 143.65 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' ' CG1' ' A' ' 63' ' ' ILE . 9.4 tpt180 -110.18 131.85 54.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.4 p -133.99 165.24 25.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -48.75 -40.46 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.31 -62.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -174.72 172.54 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG1' ' HD2' ' A' ' 58' ' ' ARG . 95.5 mt -78.24 123.45 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -91.88 -179.45 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -150.36 126.82 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.495 ' CD1' HD23 ' A' ' 55' ' ' LEU . 8.4 m-85 -104.06 176.46 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -127.21 132.37 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 77' ' ' MET . 62.2 mt -130.0 115.39 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.55 133.73 21.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.56 51.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.6 p -123.26 143.74 41.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.567 0.699 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.87 22.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.6 16.32 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 67.48 33.73 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -140.49 173.51 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.5 121.01 31.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' ILE . 59.5 mtp -78.79 141.78 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.41 19.19 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.32 -3.76 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.9 -15.48 0.91 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -111.21 151.18 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.99 140.57 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' ASN . 51.9 m-85 -133.41 138.43 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' TYR . 22.0 t30 -34.49 -57.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 m -169.44 164.19 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.3 mt -45.14 -51.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.13 -40.71 52.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.17 -53.36 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 83' ' ' TYR . 23.7 mt -40.33 -34.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.7 mt -74.65 -46.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.59 -38.0 88.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -67.41 -33.8 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 3.1 m-85 -74.19 -28.51 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -54.13 -27.0 30.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 -15.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -125.6 120.57 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 88.7 mt-30 -50.31 114.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.571 HG23 HG23 ' A' ' 99' ' ' VAL . 9.6 tt -67.71 -24.58 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.02 -176.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.739 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.2 pt-20 -52.78 -20.43 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.67 52.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -142.81 142.45 31.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 48.2 m-85 -109.42 168.34 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 41' ' ' PHE . 90.8 mt -93.65 99.73 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -158.74 143.87 11.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.06 10.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' A' ' 109' ' ' PRO . 70.3 t -83.79 133.76 45.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.459 ' HD2' HG13 ' A' ' 108' ' ' VAL . 54.0 Cg_endo -69.73 161.31 46.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mtm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 tt -82.57 -36.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.526 ' CZ3' HG21 ' A' ' 86' ' ' ILE . 36.5 p-90 -74.28 -15.54 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -81.69 133.63 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.416 ' HB2' HD13 ' A' ' 42' ' ' LEU . 21.6 m-70 -134.79 91.15 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.94 -21.34 8.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.5 -41.5 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 pt -62.18 -178.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -110.24 -175.87 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -71.72 -37.03 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.61 -51.97 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.93 -43.46 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -41.44 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.54 -41.56 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 34' ' ' THR . 55.8 t30 -74.81 -31.27 61.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 35' ' ' VAL . 81.5 mt -66.23 -59.74 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.676 ' HG ' HD23 ' A' ' 42' ' ' LEU . 15.9 mt -60.71 -15.97 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.9 -19.92 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 30' ' ' ASN . 80.7 p -113.55 -74.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.19 -20.9 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.84 -172.81 34.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -155.29 179.95 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.3 t -64.25 -6.17 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.55 26.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.72 150.68 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' HD22 ' A' ' 104' ' ' LEU . 28.8 p90 -139.71 173.02 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.829 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -164.55 141.35 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 42' ' ' LEU . 61.4 t -105.44 137.38 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -135.73 143.35 44.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 128.42 16.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . 2.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 31.5 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.62 172.19 13.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -160.78 144.88 13.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.2 tt -101.51 145.03 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.463 ' N ' HD23 ' A' ' 55' ' ' LEU . 4.6 m-85 -123.7 120.94 34.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -125.0 142.32 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' HE1' ' A' ' 33' ' ' MET . 7.2 tpt180 -97.8 131.18 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.7 p -132.72 165.83 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -50.65 -42.63 56.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.98 -68.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -166.43 158.79 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' A' ' 33' ' ' MET . 67.9 mt -63.24 117.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -75.22 178.37 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -157.0 116.12 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.36 176.82 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -138.17 127.15 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.53 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.3 m -91.3 142.85 27.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.57 68.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 77' ' ' MET . 28.4 p -126.61 147.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.96 32.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 47.75 38.2 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -132.75 175.74 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -119.64 140.35 50.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG3' HG21 ' A' ' 71' ' ' THR . 40.8 mtp -106.68 120.27 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.3 68.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.54 -62.05 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.47 35.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -146.36 146.73 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 132.64 48.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 89' ' ' ILE . 66.2 m-85 -130.06 152.2 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.48 -48.16 73.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' ILE . 71.0 mt -38.4 -46.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.47 -48.09 42.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.32 -53.87 31.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.2 mt -41.23 -43.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.1 mp -66.7 -58.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -46.74 -37.29 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -77.97 -37.66 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 104' ' ' LEU . 3.1 m-30 -67.78 -26.05 65.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 11.2 mtp-105 -49.29 -26.3 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 96' ' ' GLU . 10.6 ptmt -106.77 -27.21 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 95' ' ' LYS . 9.0 mp0 -100.67 115.62 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 92.5 mt-30 -50.9 114.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.693 HG23 HG23 ' A' ' 99' ' ' VAL . 13.2 tt -69.02 -21.54 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.734 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -124.21 -174.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.734 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -81.4 39.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.55 36.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.415 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 74.2 m-85 -150.43 141.44 22.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.397 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 13.0 m-85 -114.15 172.43 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 41' ' ' PHE . 41.6 mt -98.18 100.59 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -75.23 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.75 143.94 11.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.483 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.7 -177.28 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -97.29 130.79 28.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 171.62 14.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.301 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 tt -84.35 -28.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.575 ' CH2' HG21 ' A' ' 86' ' ' ILE . 35.9 p-90 -88.89 -15.16 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -87.09 147.69 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -136.7 127.46 27.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.96 -28.82 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -75.3 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.5 pt -55.24 -175.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 m -123.84 -179.47 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -58.65 -52.22 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -53.45 -59.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -40.44 -52.46 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.45 -49.45 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -54.27 -59.42 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -53.59 -43.19 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.1 mt -56.54 -62.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.82 -12.63 4.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.44 -18.41 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 -74.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.99 -34.86 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.14 167.62 34.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' H ' ' CB ' ' A' ' 40' ' ' SER . 4.8 tt0 -131.56 -177.63 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 17.0 t -61.56 -8.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 18.9 p -125.28 35.17 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.421 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 86.4 p -125.74 147.31 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CD2' HD22 ' A' ' 104' ' ' LEU . 14.0 p90 -136.5 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -173.58 144.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 55' ' ' LEU . 61.6 t -104.07 160.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 43' ' ' VAL . 14.8 ptt85 -165.03 143.02 5.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 114.96 3.88 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.855 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -128.02 169.37 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 p -159.72 130.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 43' ' ' VAL . 5.3 tp -84.39 148.5 26.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.72 112.5 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 63' ' ' ILE . 52.8 t80 -119.63 152.81 36.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 19.6 tpt180 -99.9 134.8 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.6 p -128.85 154.79 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -41.77 -37.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.12 -75.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -158.86 153.48 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 57' ' ' PHE . 23.7 mt -53.04 134.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -90.05 -176.97 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -151.79 114.4 4.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -100.92 173.42 6.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -131.04 130.91 43.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.88 101.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.0 m -95.23 141.8 23.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 149.82 67.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.41 HG21 ' HG3' ' A' ' 77' ' ' MET . 67.5 p -127.94 148.71 68.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 0.03 6.22 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -105.83 38.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 42.19 46.75 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 83' ' ' TYR . 39.8 mt-30 -146.04 176.62 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.73 140.0 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 71' ' ' THR . 29.4 mtp -106.46 124.85 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.8 ttt -122.38 93.24 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.74 -62.94 2.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.49 28.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -126.02 176.03 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -131.02 120.12 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 84.3 m-85 -119.93 159.22 25.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.14 -50.44 70.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m -160.77 167.27 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.575 HG21 ' CH2' ' A' ' 18' ' ' TRP . 74.7 mt -48.2 -60.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.55 -44.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ILE . 10.5 t70 -62.73 -57.8 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 86' ' ' ILE . 72.0 mt -35.0 -45.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.2 mp -58.98 -59.82 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -53.64 -55.91 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -48.15 -31.29 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.402 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.7 m-85 -80.64 -39.28 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -46.83 -28.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -17.69 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.31 116.92 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.3 pt20 -48.48 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 99' ' ' VAL . 11.9 tt -55.79 -23.18 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -116.72 173.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.618 ' H ' HG12 ' A' ' 99' ' ' VAL . 8.4 pt-20 -44.54 -26.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -172.04 57.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 44.7 m-85 -153.27 143.17 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 95.8 m-85 -118.27 172.12 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 41' ' ' PHE . 63.4 mt -89.8 127.67 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 39' ' ' CYS . 27.1 mmtm -103.96 -68.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -150.02 138.78 12.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.403 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 40' ' ' SER . 21.3 t -97.99 128.97 32.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 149.92 67.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 109' ' ' PRO . 2.3 tp -67.71 -35.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -83.3 -31.79 26.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -72.19 147.17 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -148.81 105.87 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.48 -8.83 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' ILE . 14.4 pttp -82.93 -43.81 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.752 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.9 pt -72.59 -175.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -120.38 164.9 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 78.1 tttt -47.53 -59.89 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -46.27 -60.36 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -46.5 20.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . -45.47 -45.74 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -56.28 -44.89 80.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.39 -45.89 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 23' ' ' ILE . 14.0 mt -47.9 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 42' ' ' LEU . 9.2 mt -61.77 -11.65 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -94.62 -14.16 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -128.45 -72.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.7 m -64.7 -22.62 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.51 175.39 19.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -145.92 -175.68 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.801 HG13 ' HA ' ' A' ' 59' ' ' THR . 36.3 t -65.76 -3.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.7 m -119.9 29.99 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -146.07 145.05 30.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 55' ' ' LEU . 6.0 p90 -132.72 173.66 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -159.96 138.67 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.06 148.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -151.78 139.37 12.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.07 12.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -119.17 172.04 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -162.75 126.27 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 41' ' ' PHE . 5.5 tt -85.77 148.06 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.575 ' N ' HD23 ' A' ' 55' ' ' LEU . 89.6 m-85 -124.99 107.62 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -118.18 147.25 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 7.8 tpt180 -98.95 136.26 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.801 ' HA ' HG13 ' A' ' 38' ' ' VAL . 18.9 p -128.98 170.01 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -54.75 -41.26 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.44 -64.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.75 164.37 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 33' ' ' MET . 59.3 mt -59.94 124.4 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.34 178.03 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -144.79 114.99 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -101.65 156.0 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -120.07 120.67 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -113.42 118.61 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 m -109.84 142.11 25.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 165.6 30.52 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -138.25 145.28 46.6 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.09 3.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.86 21.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.88 33.44 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.36 -178.49 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.4 m-85 -128.68 131.47 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.4 mtp -97.42 122.43 40.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.72 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.27 60.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.26 26.87 54.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.84 177.55 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -131.37 131.08 43.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 89' ' ' ILE . 95.8 m-85 -134.2 132.5 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' TYR . 8.7 t-20 -37.3 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 32.9 t -150.02 161.7 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 89' ' ' ILE . 86.3 mt -45.43 -48.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.19 -47.58 4.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.446 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.41 -56.68 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 86' ' ' ILE . 71.0 mt -37.06 -36.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.74 -69.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.26 -38.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -67.59 -45.01 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.94 -37.55 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -49.1 -28.91 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -99.03 -16.68 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -124.83 119.09 27.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 1.5 pt20 -44.57 115.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 99' ' ' VAL . 7.5 tt -73.85 -24.27 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.1 t -118.45 -174.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.9 pt-20 -82.65 38.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.598 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 141.96 35.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 13.8 m-85 -150.23 148.37 28.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 60.0 m-85 -126.52 168.14 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 61.9 mt -94.79 88.74 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -65.93 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -154.13 141.76 13.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.5 t -67.93 124.58 89.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' HD11 ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.8 154.14 67.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.643 2.229 . . . . 0.0 112.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.702 0.287 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -82.66 -34.06 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 34.7 p-90 -78.24 -27.06 47.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 31.9 t80 -74.36 156.78 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -151.77 127.65 10.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -39.88 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -40.43 82.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 pt -68.68 -178.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 m -122.61 164.18 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -46.84 -52.86 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -39.9 -56.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -34.02 -51.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.87 -51.64 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.42 -48.64 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 28' ' ' ALA . 10.8 mt -47.55 -53.78 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' HG ' HD23 ' A' ' 42' ' ' LEU . 18.6 mt -60.04 -16.59 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.557 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.3 -22.12 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 p -112.11 -74.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 108' ' ' VAL . 21.5 m -65.75 -19.29 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.07 161.54 13.06 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -146.2 -178.05 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' SG ' ' A' ' 39' ' ' CYS . 5.0 t -40.48 140.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' HG12 ' A' ' 38' ' ' VAL . 4.6 m 67.32 40.14 2.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -127.58 137.99 52.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CD2' HD22 ' A' ' 104' ' ' LEU . 2.5 p90 -133.45 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.2 pp -159.48 147.52 17.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -108.07 140.2 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 45' ' ' PRO . 28.6 ptt85 -150.33 151.71 31.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 54.0 Cg_endo -69.75 149.27 66.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -126.85 158.53 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -147.85 130.87 16.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.2 tt -101.04 149.88 23.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.6 ' N ' HD23 ' A' ' 55' ' ' LEU . 9.7 m-85 -129.14 131.88 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' A' ' 99' ' ' VAL . 16.7 t80 -119.29 156.49 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -117.84 131.55 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 57' ' ' PHE . 44.8 p -140.87 157.97 44.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -47.28 -43.96 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.13 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -168.87 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.8 mt -82.19 124.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.01 177.51 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -148.41 134.51 19.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.01 164.47 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 122.99 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt -112.83 108.35 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.8 m -99.17 142.14 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.7 41.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.436 HG21 ' HG3' ' A' ' 77' ' ' MET . 38.8 p -137.67 144.55 45.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -13.23 34.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -87.58 22.31 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' GLN . 71.6 m-20 57.48 49.77 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' A' ' 74' ' ' ASN . 6.7 mm100 -145.85 -176.23 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -130.82 131.21 44.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.436 ' HG3' HG21 ' A' ' 71' ' ' THR . 14.4 mtp -104.58 127.14 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 ttt -120.86 -56.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.37 46.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.41 85.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.6 161.33 21.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.32 120.16 40.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.522 ' CG ' HG12 ' A' ' 89' ' ' ILE . 2.9 m-85 -114.24 165.03 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.49 -51.5 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -167.26 160.17 13.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.1 mt -40.91 -51.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.57 -55.17 5.41 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ILE . 26.0 t0 -57.65 -57.7 11.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.522 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.9 mt -36.96 -49.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 104' ' ' LEU . 29.4 mt -57.57 -61.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.454 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 26.8 t70 -51.48 -56.98 10.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -49.45 -29.22 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -78.97 -31.85 45.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 91' ' ' ASP . 24.7 mmt180 -41.93 -43.37 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -19.19 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -102.32 116.18 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 103' ' ' TYR . 71.5 mt-30 -52.93 94.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 ' CG2' ' A' ' 99' ' ' VAL . 14.1 tt -57.76 -16.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -126.42 178.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.659 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.2 pt-20 -41.29 -27.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.81 48.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -134.68 136.24 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 97' ' ' GLN . 89.9 m-85 -104.07 166.56 10.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.621 HD22 ' CD2' ' A' ' 41' ' ' PHE . 45.7 mt -89.75 97.62 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -71.25 -63.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.92 141.59 4.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.434 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.76 174.27 9.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 109' ' ' PRO . 96.8 t -84.69 138.47 37.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.635 0.731 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.73 172.98 11.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.728 0.299 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -90.63 -32.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 31.4 p-90 -79.18 -18.51 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -81.89 157.11 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -151.02 138.47 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 -41.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.69 -34.15 73.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 pt -78.85 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 t -126.95 161.2 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -38.17 -64.41 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 17.4 mp0 -42.31 -53.51 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.1 -53.01 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -38.36 -42.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.95 -66.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -47.97 -35.37 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 28' ' ' ALA . 12.9 mt -62.32 -53.28 57.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 10.1 mt -69.03 -3.34 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.493 ' SD ' HD11 ' A' ' 63' ' ' ILE . 86.2 mmm -102.96 -19.44 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -119.3 -74.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.65 -18.75 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.3 156.94 18.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -118.34 176.94 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.1 t -65.03 -6.9 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.34 35.32 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.84 141.42 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CD2' HD11 ' A' ' 55' ' ' LEU . 29.7 p90 -130.7 -177.74 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.2 pp -165.42 163.46 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.484 HG22 HD12 ' A' ' 55' ' ' LEU . 93.1 t -127.6 128.63 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -131.05 143.85 51.12 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.87 10.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -139.7 152.3 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.0 m -138.18 135.03 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 43' ' ' VAL . 5.0 tp -96.16 143.82 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 46.5 m-85 -131.52 109.24 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -116.28 149.15 39.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -101.79 130.81 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -131.07 161.62 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -48.61 -40.28 27.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -72.03 -74.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -161.88 160.99 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 ' SD ' ' A' ' 33' ' ' MET . 84.9 mt -61.24 127.64 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.9 173.11 8.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -148.75 116.83 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.04 167.79 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.08 120.22 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.1 mt -109.13 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.54 133.98 35.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.716 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.5 35.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.4 p -108.45 150.99 41.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.23 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -89.09 37.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 45.25 53.7 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -147.41 -175.03 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -134.77 134.77 41.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 mtp -99.31 116.01 30.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.41 87.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.27 59.59 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.11 27.23 59.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -136.35 134.47 37.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.12 151.69 19.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.474 ' CG ' HG12 ' A' ' 89' ' ' ILE . 57.0 m-85 -147.19 158.54 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.51 -49.74 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ILE . 4.1 m -162.9 151.51 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 89' ' ' ILE . 57.9 mt -34.14 -62.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.14 -41.39 2.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 22.6 t70 -64.65 -53.81 41.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 86' ' ' ILE . 52.5 mt -39.85 -40.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' HIS . 34.9 mt -71.22 -67.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' ILE . 1.6 m-20 -37.04 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' ILE . 25.6 t-80 -73.9 -55.86 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 6.3 m-85 -55.47 -29.8 59.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -51.34 -33.04 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -105.27 -15.57 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -119.09 124.69 47.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.9 pt20 -54.11 116.08 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 HG23 ' A' ' 99' ' ' VAL . 13.7 tt -72.69 -24.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.72 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -118.08 -174.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -82.17 39.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.525 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 140.91 34.85 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 41.2 m-85 -152.42 139.61 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 65.8 m-85 -115.45 174.25 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 93' ' ' TYR . 81.7 mt -101.06 106.81 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -81.14 -73.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -145.27 143.5 20.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.74 166.9 26.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.54 124.04 87.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.11 62.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 51.9 mmtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.76 0.315 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 18' ' ' TRP . 16.3 tt -44.94 -43.78 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.5 ' N ' HG23 ' A' ' 17' ' ' ILE . 42.6 p-90 -76.44 -38.06 56.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -64.06 122.82 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -123.13 93.12 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.87 -17.19 11.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -76.43 -55.7 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.8 pt -51.25 -176.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -123.7 158.72 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -42.34 -56.85 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -52.31 -55.73 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -46.68 55.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -45.63 -39.19 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -67.25 -53.82 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -59.74 -31.8 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.2 mt -64.57 -61.44 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.3 mt -58.0 -12.47 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.5 -19.21 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -112.65 -74.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 36' ' ' GLY . 5.1 m -69.13 -44.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.503 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -81.64 143.89 23.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' OG ' ' A' ' 40' ' ' SER . 12.1 mm-40 -115.11 -177.03 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.2 t -57.43 -12.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -120.03 34.15 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 37' ' ' GLN . 53.8 p -132.9 141.16 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -136.55 173.23 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 42' ' ' LEU . 3.9 pp -163.73 144.68 8.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.17 124.05 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -123.81 140.34 34.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.72 26.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 1.8 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 28.5 p30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.79 162.75 34.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -154.05 132.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.3 tt -99.54 150.6 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.521 ' N ' HD23 ' A' ' 55' ' ' LEU . 14.4 m-85 -127.46 144.35 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -149.12 146.1 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 14.0 tpt180 -99.99 130.31 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.437 ' HA ' HG13 ' A' ' 38' ' ' VAL . 21.1 p -125.4 169.9 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -57.03 -31.36 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -84.45 -67.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -165.26 162.57 19.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.18 121.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -86.04 -176.55 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -152.53 125.47 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -109.52 153.24 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -110.32 135.75 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.3 mt -128.1 118.09 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.0 143.38 26.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.07 25.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 77' ' ' MET . 73.0 p -140.31 146.08 44.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.31 23.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -93.46 25.96 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 55.37 47.87 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.04 178.01 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -127.72 131.53 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.51 ' HG3' HG21 ' A' ' 71' ' ' THR . 5.3 mtm -96.4 130.54 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -41.99 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.6 54.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.13 17.03 80.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -135.31 146.98 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -92.72 135.18 34.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASN . 43.3 m-85 -128.28 143.99 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' TYR . 24.2 m-80 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -170.91 162.01 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.9 mt -40.05 -54.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.4 -41.58 32.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.47 -55.78 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 77.9 mt -37.73 -41.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.94 -65.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -43.89 -44.14 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -60.95 -39.51 89.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.36 -38.17 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -47.35 -31.34 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -101.3 -20.48 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.49 119.05 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.606 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 1.1 pt20 -47.31 120.36 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.612 HG23 HG23 ' A' ' 99' ' ' VAL . 15.3 tt -79.71 -31.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -108.99 -175.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.729 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.3 pt-20 -83.4 36.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.49 33.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -150.58 142.62 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.921 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.606 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 29.0 m-85 -117.8 169.46 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.86 99.12 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -73.15 -72.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -143.6 143.92 25.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 118.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.98 6.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 61.1 mmtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 18' ' ' TRP . 20.4 tt -66.17 -40.93 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.5 p-90 -70.03 -14.24 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.414 ' HB2' HD13 ' A' ' 42' ' ' LEU . 32.3 m80 -150.53 124.65 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.94 -32.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -64.01 -43.39 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 31' ' ' LEU . 12.2 pt -68.25 -175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 t -118.08 -174.98 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -69.67 -52.01 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -61.23 -38.66 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -48.13 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.09 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.28 -44.9 92.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' THR . 6.2 m-20 -67.57 -45.74 74.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.689 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.9 mt -49.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 28.0 mt -57.82 -13.24 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.751 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -102.48 -13.82 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASN . 12.1 p -111.03 -75.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' CG2' ' A' ' 108' ' ' VAL . 2.7 m -75.47 -36.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 37' ' ' GLN . . . -70.93 -170.68 10.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 82.8 mt-30 -159.79 -176.81 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.7 t -69.86 -0.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 m -132.87 42.1 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -147.64 153.42 39.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' HD2' HD11 ' A' ' 55' ' ' LEU . 1.9 p90 -147.35 -178.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.9 pp -168.57 152.65 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 55' ' ' LEU . 56.7 t -109.0 132.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -132.38 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.7 16.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 2.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -148.49 162.97 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -151.76 135.75 16.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 43' ' ' VAL . 12.9 tp -90.45 161.89 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 27.3 m-85 -143.33 112.45 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.09 146.97 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -100.5 144.36 29.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.521 HG21 ' OE1' ' A' ' 64' ' ' GLN . 71.4 p -141.09 172.27 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -58.08 -43.63 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.09 -68.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -165.32 157.63 15.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.2 mt -59.66 122.89 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.521 ' OE1' HG21 ' A' ' 59' ' ' THR . 10.5 pt20 -105.37 165.02 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -144.57 157.11 44.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.517 ' HZ ' HE21 ' A' ' 64' ' ' GLN . 5.2 m-85 -129.28 168.65 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -119.55 136.74 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.84 121.27 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.69 140.55 21.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 167.08 25.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.1 p -142.18 144.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.13 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -95.44 22.21 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 59.02 31.77 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -131.87 -176.53 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.28 139.95 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 mtp -108.56 128.64 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 ttt -128.29 100.32 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.54 -58.55 4.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.48 32.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -135.98 177.26 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -125.03 132.58 53.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -132.54 137.58 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -41.77 -49.54 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -164.98 161.09 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 90' ' ' ILE . 73.2 mt -47.59 -49.22 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.31 -38.64 12.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.34 -54.01 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.536 HG22 ' CE2' ' A' ' 93' ' ' TYR . 8.4 mt -37.05 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.4 mp -64.87 -54.73 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.73 -27.22 69.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.07 -37.26 64.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.536 ' CE2' HG22 ' A' ' 89' ' ' ILE . 10.4 m-85 -78.71 -37.65 41.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -46.9 -27.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -109.03 -11.24 14.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -123.68 117.46 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.5 pt20 -46.75 115.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 99' ' ' VAL . 13.9 tt -77.14 -18.89 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -124.38 -174.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.63 36.29 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -151.83 139.37 19.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.51 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 53.1 m-85 -117.16 163.02 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 85.4 mt -87.82 98.54 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -74.19 -71.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.68 136.98 11.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.35 42.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.687 ' CG2' HG23 ' A' ' 35' ' ' VAL . 7.2 p -66.54 133.9 94.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 108' ' ' VAL . 53.9 Cg_endo -69.73 171.78 13.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 38.0 mmtt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.733 0.302 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.14 -30.32 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 47.0 p-90 -81.45 -28.33 34.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -78.42 132.45 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -132.07 118.56 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -29.66 1.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -41.73 98.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG21 HD11 ' A' ' 31' ' ' LEU . 32.0 pt -69.59 172.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -111.58 175.94 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' NH2' ' A' ' 44' ' ' ARG . 30.3 tttm -57.88 -53.43 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 -59.06 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.9 mt-10 -45.13 -56.1 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.44 -49.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.09 -46.99 82.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.8 m-20 -65.69 -41.2 92.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 23' ' ' ILE . 40.7 mt -54.09 -65.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 11.2 mt -49.41 -18.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.683 ' SD ' HD11 ' A' ' 63' ' ' ILE . 93.2 mmm -91.1 -28.97 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.7 p -103.7 -74.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 36' ' ' GLY . 35.3 m -64.64 -45.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -76.25 -170.54 30.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.49 178.57 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 38' ' ' VAL . 14.4 p -70.75 1.16 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.7 20.69 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -133.8 158.02 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.0 p90 -144.7 179.78 7.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.6 pp -166.84 158.39 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 55' ' ' LEU . 61.2 t -113.22 133.21 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ttt-85 -138.54 140.09 26.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.841 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 45' ' ' PRO . 70.3 m-85 -147.62 174.17 12.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -161.04 143.12 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 41' ' ' PHE . 7.2 tp -96.83 139.21 33.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.481 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 73.6 m-85 -120.31 106.27 11.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -120.39 143.75 48.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 10.5 tpt180 -101.02 135.3 42.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' GLU . 72.8 p -119.41 150.42 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' THR . 18.2 p30 -33.79 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' THR . 33.7 tt0 -82.21 -74.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -149.29 -176.08 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.683 HD11 ' SD ' ' A' ' 33' ' ' MET . 69.5 mt -84.69 133.42 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -96.54 -178.78 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -149.5 113.64 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.21 179.01 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -131.66 137.59 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.5 mt -131.59 118.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.42 135.22 21.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.76 41.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 31.8 p -107.9 148.93 38.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.06 11.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -105.43 50.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ASN . 75.6 m-80 37.09 51.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -151.31 -175.69 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -128.99 160.52 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.458 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 37.1 mtp -118.43 118.71 32.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 84.64 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.56 61.54 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.84 38.9 60.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.22 169.32 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.4 130.23 42.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CD1' HG12 ' A' ' 89' ' ' ILE . 91.3 m-85 -138.09 146.6 43.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -41.41 -48.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ILE . 3.2 m -172.88 157.85 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . 76.6 mt -34.45 -52.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.49 -45.42 17.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -64.44 -54.74 27.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 83' ' ' TYR . 87.3 mt -37.07 -31.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 71.7 mt -71.47 -62.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.3 -38.35 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -64.57 -44.56 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.542 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 10.8 m-85 -68.33 -31.04 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -50.94 -36.76 40.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -99.28 -12.33 20.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -125.73 116.47 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 34.7 mt-30 -54.23 111.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 99' ' ' VAL . 9.1 tt -61.83 -35.78 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.7 t -104.76 178.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.719 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.0 pt-20 -35.26 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.58 50.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.443 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 12.0 m-85 -126.47 145.91 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 28.4 m-85 -116.07 156.59 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.7 mt -87.3 91.61 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -60.91 -69.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.81 142.08 15.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.37 62.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.424 HG21 HD23 ' A' ' 32' ' ' LEU . 60.2 t -54.42 122.21 36.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 162.82 40.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.3 mmtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -68.75 -32.54 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 p-90 -84.34 -13.0 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CB ' ' HB2' ' A' ' 16' ' ' LYS . 39.0 t80 -89.22 143.03 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -135.15 115.73 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 -20.76 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -78.61 -42.48 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 31' ' ' LEU . 32.7 pt -66.27 -175.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -126.03 173.87 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -53.34 -55.36 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -56.02 -58.83 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.18 -46.28 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -48.5 -35.72 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.21 -50.33 34.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -28.36 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 28' ' ' ALA . 54.9 mt -65.98 -52.5 48.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.96 -8.52 49.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.637 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -96.75 -24.13 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -115.44 -75.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.0 m -63.04 -20.8 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.47 -160.34 35.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -159.92 179.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 38' ' ' VAL . 99.4 t -66.25 -7.79 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.4 m -134.86 35.71 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -111.81 142.93 43.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 104' ' ' LEU . 5.6 p90 -138.15 168.05 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 pp -165.32 155.14 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 55' ' ' LEU . 94.9 t -104.92 134.39 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.593 ' NH2' ' CE2' ' A' ' 56' ' ' TYR . 8.8 ttp85 -143.35 139.99 17.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -125.96 176.41 7.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -160.51 129.39 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 41' ' ' PHE . 4.3 tp -86.86 152.31 22.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 44' ' ' ARG . 17.2 m-85 -129.64 107.58 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 63' ' ' ILE . 25.7 t80 -114.76 158.69 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -113.89 144.45 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -145.03 164.56 30.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -47.56 -44.6 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -67.14 -72.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -167.42 157.04 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 57' ' ' PHE . 58.1 mt -54.7 134.5 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.88 178.09 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 56' ' ' TYR . 42.5 mtm180 -151.51 117.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -93.82 160.6 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -120.66 105.08 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.4 mt -99.21 115.76 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.73 134.57 19.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 p -106.73 148.98 37.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.65 36.39 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -85.85 22.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.5 t30 59.73 42.16 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.9 172.29 12.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -115.29 154.28 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.5 mtp -122.01 129.24 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.691 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -140.13 105.43 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.83 47.96 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 34.2 80.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -132.81 177.27 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -131.08 145.73 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.52 ' CG ' HG12 ' A' ' 89' ' ' ILE . 68.5 m-85 -149.84 166.68 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -63.84 -47.79 79.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.1 p -174.61 160.02 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 89' ' ' ILE . 82.0 mt -39.29 -66.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.81 -52.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' ILE . 26.9 m-20 -62.48 -57.82 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 86' ' ' ILE . 89.9 mt -34.67 -32.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 88' ' ' ASP . 65.3 mt -72.23 -49.35 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' ASP . 4.8 m-20 -60.71 -29.47 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -74.68 -39.16 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.585 ' CB ' HD12 ' A' ' 104' ' ' LEU . 7.3 m-85 -74.19 -36.96 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -108.62 -5.38 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -130.1 115.21 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 58.3 mt-30 -44.2 108.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 78' ' ' MET . 12.9 tt -65.22 -25.73 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.705 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -117.8 -174.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.705 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.1 pt-20 -80.72 40.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.3 37.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -147.86 134.06 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 97' ' ' GLN . 9.3 m-85 -109.43 169.95 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.687 HD22 ' CD1' ' A' ' 41' ' ' PHE . 33.5 mt -102.4 97.82 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -68.79 -74.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.71 143.88 17.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -179.95 3.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.385 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -98.27 127.98 34.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.31 66.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.9 mmtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.292 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 18' ' ' TRP . 6.6 tt -65.88 -41.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 44.7 p-90 -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' N ' ' CE3' ' A' ' 18' ' ' TRP . 23.4 t80 -71.09 123.8 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.98 81.25 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.96 -17.79 31.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -71.03 -48.64 51.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' ALA . 42.8 pt -61.8 -176.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 m -125.45 176.91 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -62.01 -46.47 89.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -63.71 -56.04 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.61 -59.87 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -34.8 -53.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -49.01 -50.7 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.23 -37.57 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 35' ' ' VAL . 20.3 mt -57.19 -64.12 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.5 mt -49.68 -22.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 63' ' ' ILE . 87.6 mmm -88.22 -27.88 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -106.04 -75.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 31' ' ' LEU . 22.0 m -63.41 -38.22 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.96 158.3 24.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 40' ' ' SER . 53.2 mt-30 -146.06 -175.35 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' VAL . 2.5 t -45.63 146.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.2 m 63.39 29.4 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 11.2 t -119.94 144.44 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -145.27 170.16 16.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.6 pp -172.51 142.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 44' ' ' ARG . 90.0 t -95.17 159.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.537 ' N ' HG12 ' A' ' 43' ' ' VAL . 13.5 mtp-105 -150.51 127.92 5.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' SER . 53.9 Cg_endo -69.75 114.34 3.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' PRO . 19.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 10.4 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 52' ' ' ASP . 13.9 m-85 -143.01 165.17 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.7 m -140.7 131.46 25.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -96.95 142.16 29.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 82.4 m-85 -126.76 118.46 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -115.22 139.24 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 21.6 tpt180 -104.73 125.26 50.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -130.6 158.72 39.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -27.93 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -78.59 -64.54 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 23.2 p30 -170.92 154.49 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 33' ' ' MET . 89.2 mt -60.56 122.82 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -72.01 -173.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -166.29 114.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -120.76 173.47 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -133.56 147.75 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.86 117.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.24 140.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.58 49.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.9 p -128.77 150.15 74.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.548 0.69 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.77 5.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -113.12 45.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m120 38.96 48.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -140.74 179.25 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -130.11 139.45 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.4 mtp -111.86 119.69 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.458 ' CE ' HD22 ' A' ' 55' ' ' LEU . 12.2 ttt -118.08 85.18 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.71 -65.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.1 34.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -138.01 173.27 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -125.63 133.1 52.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CD2' HG12 ' A' ' 89' ' ' ILE . 94.0 m-85 -134.4 138.86 45.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.14 -57.15 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.2 t -143.98 142.02 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 89' ' ' ILE . 97.7 mt -34.04 -58.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.57 -52.87 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -54.12 -51.54 63.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.2 mt -41.07 -35.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mp -70.25 -47.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.18 -28.82 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -76.0 -56.58 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 7.4 m-85 -49.99 -37.78 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -49.82 -30.43 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -97.99 -28.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.23 115.53 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -50.62 114.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.763 HG23 HG23 ' A' ' 99' ' ' VAL . 13.5 tt -67.82 -18.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -124.84 174.44 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.699 ' H ' HG12 ' A' ' 99' ' ' VAL . 14.2 pt-20 -35.08 -36.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -171.9 59.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -143.23 143.76 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.66 146.16 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.35 108.28 5.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -82.47 -67.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.97 137.78 12.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.543 HG21 HD23 ' A' ' 42' ' ' LEU . 55.6 t -82.65 129.84 60.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 146.18 59.45 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 110' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 42.4 mmtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.775 0.321 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -85.1 -24.75 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 50.9 p-90 -85.89 -33.29 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -64.8 150.73 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -151.02 105.9 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.74 -30.31 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.28 -53.69 53.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.67 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.7 pt -58.95 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -108.65 -177.29 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -65.75 -49.08 69.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.85 -50.98 66.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -44.93 -46.51 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -51.1 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -47.64 -37.68 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -80.33 -39.38 28.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 23' ' ' ILE . 12.5 mt -57.37 -35.1 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HG ' HD23 ' A' ' 42' ' ' LEU . 10.8 mt -86.23 -3.48 58.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -109.05 -16.77 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -111.89 -69.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 31' ' ' LEU . 33.8 m -79.73 -26.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.04 167.8 26.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.73 -178.5 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . 96.7 t -63.26 -10.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -117.65 28.22 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -128.88 143.29 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 55' ' ' LEU . 1.5 p90 -131.77 175.37 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.457 HD23 ' HG ' ' A' ' 32' ' ' LEU . 4.1 pp -163.49 157.82 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 t -121.39 143.69 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -140.99 147.45 47.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.05 14.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.836 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 86' ' ' ILE . 80.5 m-85 -140.58 163.03 33.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m -145.25 121.85 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.933 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.3 tt -94.24 162.34 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.933 ' N ' HD23 ' A' ' 55' ' ' LEU . 61.8 m-85 -145.26 123.33 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 44.5 t80 -130.07 143.31 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 17.2 tpt180 -91.81 137.7 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 p -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -53.76 -56.92 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -65.09 -61.06 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -172.37 -179.85 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.94 134.96 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -95.95 -179.56 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -142.05 116.56 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.19 174.05 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -137.62 113.8 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -108.6 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.8 133.85 31.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.77 67.47 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.26 . . . . 0.0 112.406 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -128.06 144.77 52.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.45 30.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -87.72 21.48 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.94 42.36 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -139.5 -175.97 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.9 m-85 -131.32 140.83 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.0 mtp -115.3 111.66 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 93' ' ' TYR . 7.3 ttt -112.74 -41.37 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.36 65.98 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.07 12.18 42.35 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -119.92 176.39 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.76 118.36 20.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -116.82 172.66 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -72.97 -54.99 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.51 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 91.3 p -165.1 169.52 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 53' ' ' TYR . 73.6 mt -45.87 -57.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.29 -47.68 5.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.46 -56.66 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 93' ' ' TYR . 30.3 mt -39.8 -46.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.9 mt -58.63 -55.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.95 -43.77 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -63.52 -55.06 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.5 m-85 -52.38 -39.94 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -53.17 -25.82 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -92.23 -27.33 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 97' ' ' GLN . 25.6 mp0 -125.37 114.34 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.603 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 3.7 pt20 -34.65 117.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.539 HG23 HG23 ' A' ' 99' ' ' VAL . 3.3 tt -71.99 -24.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.52 178.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.676 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pp20? -39.54 -41.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.92 38.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -126.15 137.7 53.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.603 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 47.3 m-85 -110.88 154.68 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.98 102.15 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -77.65 -71.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -149.74 139.15 13.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.91 58.88 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 35' ' ' VAL . 50.6 t -70.52 120.17 77.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.01 58.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 66.6 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.33 -30.79 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.8 p-90 -87.31 -20.64 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CG ' ' N ' ' A' ' 20' ' ' HIS . 49.2 t80 -80.26 162.78 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 22.9 m80 -154.89 117.7 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.67 -34.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.47 -40.62 96.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 pt -73.96 -175.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -127.6 164.73 21.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' N ' ' NH2' ' A' ' 44' ' ' ARG . 36.4 tttm -51.52 -42.17 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.68 -46.9 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.44 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.4 -49.78 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -71.81 -40.79 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.7 mt -55.53 -49.92 71.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 4.4 mt -67.16 -17.4 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG2' HD11 ' A' ' 63' ' ' ILE . 47.0 mmm -95.56 -17.57 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -108.9 -59.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.5 m -86.46 -30.08 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.09 156.13 30.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' C ' ' HG2' ' A' ' 58' ' ' ARG . 40.3 mt-30 -131.87 -174.94 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.3 p -63.35 -2.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 82.5 m -135.0 46.05 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -148.65 140.13 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.702 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.5 p90 -137.77 179.09 6.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -163.37 155.89 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.25 142.45 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH2' ' N ' ' A' ' 25' ' ' LYS . 3.3 ptm85 -153.47 154.28 30.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.06 52.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 4.7 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 51.1 m-85 -158.72 172.29 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -165.18 141.71 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 56' ' ' TYR . 7.6 tt -97.12 151.55 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.716 ' N ' HD23 ' A' ' 55' ' ' LEU . 7.7 m-85 -129.15 120.16 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -131.96 136.82 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HG2' ' C ' ' A' ' 37' ' ' GLN . 5.4 ttt180 -94.89 141.05 29.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 57.9 p -120.77 165.51 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' HG23 ' A' ' 38' ' ' VAL . 1.6 p-10 -52.25 -16.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.0 -75.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.03 163.96 38.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.415 HD11 ' HG2' ' A' ' 33' ' ' MET . 23.1 mt -67.86 135.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.95 -175.79 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -146.33 127.46 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -105.67 -177.01 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -142.87 122.26 13.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.68 98.87 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.7 m -85.4 140.8 36.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -129.52 151.42 77.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.74 14.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . 20.8 m120 -102.0 43.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ASN . 8.8 m-20 37.75 40.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -138.25 -178.42 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.81 147.95 50.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 mtp -112.53 126.85 55.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.2 ttt -133.27 97.44 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.58 52.83 6.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.75 33.04 66.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -128.73 157.4 41.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.86 137.58 54.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 89' ' ' ILE . 96.6 m-85 -145.04 137.45 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -39.69 -53.65 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' ILE . 14.0 t -158.24 156.31 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 89' ' ' ILE . 93.9 mt -36.28 -58.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.14 -46.6 1.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -58.61 -59.27 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.544 HG12 ' CD1' ' A' ' 83' ' ' TYR . 61.5 mt -35.84 -41.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.65 -68.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -44.06 -30.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -74.5 -45.59 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.494 ' CE2' HD12 ' A' ' 98' ' ' ILE . 5.7 m-85 -61.44 -43.03 99.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -40.94 -40.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -97.88 -18.23 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.16 116.89 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.53 119.21 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.744 HG23 HG23 ' A' ' 99' ' ' VAL . 3.8 tt -74.99 -27.94 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.744 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -118.46 178.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.6 pt-20 -37.26 -32.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -175.77 56.57 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -140.53 151.03 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -118.19 170.75 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.702 HD22 ' CD1' ' A' ' 41' ' ' PHE . 80.9 mt -106.63 99.71 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -68.23 -68.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -150.73 142.67 15.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.78 169.45 18.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.402 HG13 ' HD2' ' A' ' 109' ' ' PRO . 47.2 t -82.63 132.74 51.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.8 156.41 63.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.17 -38.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -74.39 -16.95 60.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -82.29 141.77 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -140.13 108.5 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.32 -19.02 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.66 -45.91 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -66.51 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -115.35 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -67.15 -47.25 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -59.59 -47.78 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.52 -50.0 73.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -42.82 -41.18 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -62.65 -60.82 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -53.68 -39.12 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.7 mt -59.48 -60.24 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 42' ' ' LEU . 16.0 mt -63.69 -8.24 9.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.575 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -97.92 -24.41 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 p -112.12 -73.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 31' ' ' LEU . 21.8 m -65.11 -24.29 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.29 -176.52 41.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' CYS . 15.2 tt0 -157.11 164.94 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 48.4 t -43.13 -22.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' GLN . 8.8 m -112.25 45.48 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -138.42 135.48 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.3 p90 -128.8 164.92 21.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.1 pp -164.2 138.12 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.11 150.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -156.11 139.57 11.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.26 15.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -143.98 167.03 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -158.99 133.64 8.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 41' ' ' PHE . 10.4 tp -86.78 152.5 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 14.7 m-85 -131.72 102.94 6.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 31.8 t80 -114.59 146.22 41.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 11.7 tpt180 -94.72 137.97 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HA ' HG13 ' A' ' 38' ' ' VAL . 69.8 p -135.62 155.44 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -43.09 -36.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -76.8 -72.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -165.8 152.22 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 33' ' ' MET . 56.2 mt -46.76 122.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.06 179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -148.48 128.76 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -109.32 142.76 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.4 130.89 42.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.01 102.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.88 134.79 24.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.79 51.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.268 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 p -109.12 148.49 38.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.1 20.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.36 38.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 34.7 t30 48.54 40.27 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.48 -175.21 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -131.95 154.02 49.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.4 mtp -116.06 123.36 47.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.4 ttt -134.38 90.56 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.19 49.33 4.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.93 28.4 66.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -125.69 158.16 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -120.01 122.26 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CG ' HG12 ' A' ' 89' ' ' ILE . 62.6 m-85 -123.11 162.46 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 4.8 p-10 -66.38 -53.76 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.1 p -155.69 151.03 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 90' ' ' ILE . 26.1 mt -39.02 -61.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 90' ' ' ILE . . . -37.63 -42.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.75 -50.8 65.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 86' ' ' ILE . 86.5 mt -42.81 -29.03 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 86' ' ' ILE . 5.1 mp -77.09 -45.97 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.31 -33.15 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -75.27 -36.46 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.521 ' CB ' HD12 ' A' ' 104' ' ' LEU . 3.7 m-85 -73.89 -27.7 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -57.11 -13.67 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.1 -17.85 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -112.6 145.65 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -70.54 103.85 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.77 HG23 HG23 ' A' ' 99' ' ' VAL . 7.9 tt -66.25 -23.54 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.77 HG23 HG23 ' A' ' 98' ' ' ILE . 2.0 t -121.57 173.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.4 pt-20 -36.42 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -174.62 56.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -139.73 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.13 151.58 47.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 93' ' ' TYR . 96.8 mt -83.57 107.21 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -77.68 -70.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -154.47 142.81 14.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.46 12.61 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.44 127.88 74.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 146.42 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 55.0 mmtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -66.79 -35.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 36.9 p-90 -79.31 -16.35 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.68 147.14 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -144.24 105.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.04 -9.06 6.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -28.46 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.301 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 31' ' ' LEU . 18.6 pt -79.5 173.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -119.34 155.86 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.23 -65.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -45.16 -57.17 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' ASN . 3.2 mm-40 -49.8 -55.99 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.62 -51.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -55.77 -46.22 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 t30 -73.7 -21.94 60.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.6 mt -70.64 -58.49 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 42' ' ' LEU . 4.4 mt -53.34 -26.78 20.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 63' ' ' ILE . 90.2 mmm -78.83 -32.53 46.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 p -104.11 -70.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 31' ' ' LEU . 26.5 m -64.24 -26.22 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.02 171.5 16.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -152.72 175.05 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.3 136.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.5 m 66.09 46.42 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 m -136.54 139.18 42.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 11.1 p90 -129.13 173.98 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.8 pp -163.02 140.54 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 86' ' ' ILE . 89.1 t -98.56 134.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -150.26 139.65 13.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.62 28.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -131.9 156.68 45.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -147.24 124.61 11.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 55' ' ' LEU . 10.0 tt -95.9 144.01 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 28.5 m-85 -117.81 157.57 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -148.62 136.55 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 13.8 ttt85 -107.98 125.49 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 p -121.93 151.81 40.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.87 -61.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -166.26 -178.68 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.764 HD11 ' SD ' ' A' ' 33' ' ' MET . 61.2 mt -95.69 139.53 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -111.11 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 18.6 ttp180 -154.06 125.35 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.25 -179.13 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 148.87 52.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.13 110.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.08 134.77 21.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.05 62.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -122.02 149.29 53.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.86 37.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -87.46 42.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 m120 38.07 53.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -147.7 -178.48 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.4 mtp -107.64 117.83 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 72.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.75 -71.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.42 17.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -122.75 171.34 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -115.54 138.97 50.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.2 162.53 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -68.23 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 p -151.08 154.55 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 43' ' ' VAL . 80.3 mt -40.33 -47.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.44 -45.09 8.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -67.87 -52.6 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 88' ' ' ASP . 73.5 mt -39.79 -30.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.474 HG12 ' CZ ' ' A' ' 41' ' ' PHE . 52.9 mt -71.13 -52.82 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -65.82 -40.91 92.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -57.37 -35.91 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.42 -37.23 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -41.05 -39.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -91.06 -26.5 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.42 114.26 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 2.9 pt20 -45.81 104.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 99' ' ' VAL . 8.8 tt -58.11 -28.51 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.706 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -113.46 173.24 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.616 ' H ' HG12 ' A' ' 99' ' ' VAL . 7.3 pt-20 -34.92 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.77 49.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -137.92 131.88 31.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 90.0 m-85 -109.3 139.0 44.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.16 107.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -79.21 -61.71 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -152.05 140.14 13.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.39 8.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.483 HG13 HG23 ' A' ' 35' ' ' VAL . 54.0 t -90.94 121.49 67.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 26.0 mmtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.724 0.297 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.84 -25.57 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.548 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 28.8 p-90 -86.26 -18.19 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.23 149.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -139.05 130.7 27.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.47 -32.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.431 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -44.79 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.622 HD11 HH12 ' A' ' 44' ' ' ARG . 29.1 pt -64.59 -175.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -123.37 171.26 9.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -58.97 -54.49 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.9 -50.13 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.7 mm-40 -54.03 -58.87 5.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -33.72 -45.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.29 -51.24 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 42.3 t30 -64.97 -44.35 89.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 mt -50.3 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 12.0 mt -49.29 -20.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 35' ' ' VAL . 65.6 p -104.36 -75.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 36' ' ' GLY . 33.2 m -62.41 -42.57 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -84.29 163.53 39.37 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' H ' ' CB ' ' A' ' 40' ' ' SER . 2.8 tp-100 -123.8 175.28 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 81.0 t -52.7 -15.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -117.85 37.82 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 17.5 m -130.35 134.98 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 104' ' ' LEU . 11.8 p90 -132.21 176.87 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.0 pp -167.61 149.72 5.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 86' ' ' ILE . 96.5 t -103.09 128.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.622 HH12 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.55 140.14 34.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 53.3 Cg_endo -69.78 144.27 53.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 54.2 m-85 -143.15 176.25 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -157.21 138.73 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -95.69 146.01 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 76.1 m-85 -124.33 129.67 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 63' ' ' ILE . 42.5 t80 -146.12 148.14 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 5.9 tpt180 -99.2 146.8 25.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HA ' HG13 ' A' ' 38' ' ' VAL . 63.9 p -142.38 171.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -58.82 -42.09 88.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -174.19 148.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 33' ' ' MET . 88.4 mt -42.78 129.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -94.87 165.09 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -137.88 122.39 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.07 159.92 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -112.85 129.51 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -118.25 110.68 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.3 t -101.47 134.35 20.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.95 67.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.396 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -121.81 147.27 48.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.9 17.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.58 25.87 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 56.68 42.21 27.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -137.39 -175.55 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -133.98 130.49 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.2 mtp -94.51 117.33 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -55.7 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.23 55.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.34 21.55 54.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.44 174.5 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -132.26 118.86 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 89' ' ' ILE . 93.3 m-85 -119.57 137.44 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -39.3 -57.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.3 t -148.65 150.54 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.56 ' HA ' HD12 ' A' ' 89' ' ' ILE . 95.4 mt -35.04 -55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.21 -55.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -53.11 -50.09 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.5 mt -41.99 -39.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.3 mp -66.53 -64.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -45.83 -26.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 98' ' ' ILE . 3.3 m-85 -57.9 -27.63 63.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 14.2 mtp-105 -61.38 -17.32 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -111.81 -12.29 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 4.1 pt20 -38.74 108.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.614 HG23 HG23 ' A' ' 99' ' ' VAL . 8.3 tt -69.74 -20.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -122.29 -174.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.732 ' H ' HG12 ' A' ' 99' ' ' VAL . 6.3 pt-20 -81.21 39.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 137.42 38.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 22.4 m-85 -151.58 150.16 29.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 97' ' ' GLN . 10.7 m-85 -125.82 156.39 39.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.2 mt -78.51 102.59 7.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -72.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -148.61 138.0 12.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.736 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.77 159.77 52.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.544 HG13 ' HD2' ' A' ' 109' ' ' PRO . 84.1 t -72.02 135.74 82.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.76 153.96 68.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.258 . . . . 0.0 112.302 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 59.6 mmtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.773 0.321 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 18' ' ' TRP . 18.6 tt -53.97 -43.39 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 17' ' ' ILE . 28.4 p-90 -76.84 -14.78 59.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -85.05 146.05 27.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -144.25 111.95 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.53 -13.51 2.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -82.73 -29.72 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 pt -78.62 -175.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -117.71 166.84 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -58.28 -60.28 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 15.8 pm0 -54.1 -31.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' N ' ' HG2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.71 -54.46 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.46 -38.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.31 -41.52 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -77.98 -43.57 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 35' ' ' VAL . 42.6 mt -50.58 -54.64 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.82 -26.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -88.17 -15.26 36.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -113.02 -74.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.3 m -69.92 -28.12 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.36 173.68 24.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -155.45 -176.42 5.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' N ' ' HE ' ' A' ' 58' ' ' ARG . 2.9 t -45.93 144.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 m 62.74 42.51 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p -126.72 144.12 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HB2' HD21 ' A' ' 55' ' ' LEU . 2.7 p90 -139.23 161.62 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 44' ' ' ARG . 3.6 pp -158.62 149.92 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -107.43 149.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 1.9 mtp-105 -148.43 147.25 24.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.3 32.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -154.53 159.37 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -137.25 118.46 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.4 tt -90.42 151.97 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.702 ' N ' HD23 ' A' ' 55' ' ' LEU . 66.8 m-85 -133.58 120.09 20.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 63' ' ' ILE . 36.8 t80 -115.2 150.1 36.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 38' ' ' VAL . 18.3 ttt85 -116.72 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.1 p -134.74 162.06 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -49.69 -26.0 3.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.34 -69.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -166.1 157.63 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.7 mt -69.65 127.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.65 159.54 16.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 29.0 ttp180 -130.34 144.64 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -117.41 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -138.24 130.68 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -119.78 106.44 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 98.1 m -93.81 139.78 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.93 51.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.459 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 38.1 p -136.52 149.54 67.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.88 36.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' ASN . 39.3 t30 -87.79 46.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' ASN . 12.8 m-20 34.13 54.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -150.52 -175.0 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -132.55 144.15 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' A' ' 71' ' ' THR . 36.8 mtp -106.65 119.69 39.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.08 107.01 6.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 42.62 17.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.81 38.02 94.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -140.43 179.74 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 14.8 m-85 -128.2 144.85 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 17.6 m-85 -142.51 146.42 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -56.34 -42.39 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.2 p -169.81 152.88 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.1 mt -41.42 -48.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.66 40.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -43.05 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 86' ' ' ILE . 42.0 mt -47.27 -38.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.6 mp -64.59 -64.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.58 -35.92 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -68.02 -51.1 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.23 -33.46 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -50.49 -26.7 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -110.8 -15.9 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -117.24 120.18 37.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.531 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 83.2 mt-30 -55.28 114.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.52 HG23 ' CG2' ' A' ' 99' ' ' VAL . 15.5 tt -69.97 -24.74 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -113.49 -174.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.736 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.0 pt-20 -72.95 2.79 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . 167.77 49.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 60.6 m-85 -154.78 130.83 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 12.6 m-85 -102.17 173.0 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD22 ' CD1' ' A' ' 41' ' ' PHE . 66.3 mt -96.84 87.91 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -58.68 -65.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.91 140.46 8.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.23 4.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.25 129.62 44.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.03 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 17.2 mmmt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.42 -29.64 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.478 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 46.2 p-90 -87.74 -23.23 24.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -82.37 134.4 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -140.86 105.5 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.77 -17.28 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -74.9 -46.27 37.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.8 -177.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 m -119.79 175.92 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -62.58 -55.54 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.41 -32.35 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.02 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.21 -33.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.48 -56.87 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -61.92 -35.95 79.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.0 mt -57.23 -62.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 5.9 mt -57.95 -18.28 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 63' ' ' ILE . 76.9 mmm -86.65 -27.92 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.9 p -110.82 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.1 m -60.2 -27.0 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.69 139.05 14.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -98.78 -177.46 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 38' ' ' VAL . 21.4 t -62.82 -7.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.41 33.36 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -128.58 144.0 51.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 104' ' ' LEU . 9.1 p90 -139.84 -177.09 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD23 HG21 ' A' ' 108' ' ' VAL . 4.5 pp -170.05 159.23 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 55' ' ' LEU . 83.9 t -114.62 137.75 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -132.39 151.06 77.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.546 0.689 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.74 19.96 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . 4.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 1.7 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -138.29 174.8 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -146.07 141.21 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.689 HD12 HG22 ' A' ' 43' ' ' VAL . 4.4 tp -110.68 148.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 61.0 m-85 -135.09 123.64 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -126.7 143.63 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -93.76 127.68 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.5 p -126.03 151.15 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -46.97 -31.25 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.1 -72.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.7 142.52 7.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 33' ' ' MET . 80.0 mt -47.57 126.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -90.29 -176.59 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -157.23 116.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -103.22 174.17 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -133.09 125.62 29.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.8 mt -112.6 108.99 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -98.12 142.29 24.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 156.62 62.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.9 p -129.07 151.51 77.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.1 m120 -102.48 44.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p30 37.04 49.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -142.32 -179.4 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.34 132.64 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 mtp -95.09 128.84 42.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 97.95 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.11 -66.05 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.01 25.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 178.19 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.6 146.28 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -137.7 138.87 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.43 -42.95 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -175.02 168.17 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.66 -63.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.55 -36.52 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.93 -45.39 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 ' CE2' ' A' ' 93' ' ' TYR . 57.5 mt -45.43 -33.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -51.42 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -66.68 -24.05 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -79.19 -34.58 42.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.511 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.6 m-85 -79.2 -31.73 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -49.48 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -105.48 -12.02 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 6.2 mm-40 -126.44 121.38 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 100' ' ' GLU . 9.4 pt20 -58.01 115.17 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 99' ' ' VAL . 15.2 tt -68.04 -15.59 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.756 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -128.17 171.26 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 99' ' ' VAL . 15.1 pt-20 -36.74 -39.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -165.52 59.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.422 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 39.0 m-85 -148.71 131.22 15.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 98.5 m-85 -110.83 148.42 32.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 27.0 mt -76.66 113.02 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -80.0 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -154.5 141.26 13.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.86 149.95 66.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 35' ' ' VAL . 86.7 t -57.78 124.19 67.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.54 7.95 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -44.25 -37.76 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m 40.16 48.32 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.05 172.7 27.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -107.18 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.362 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -170.88 148.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.92 -74.97 0.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.02 107.23 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -139.6 162.5 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -120.68 146.56 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.27 153.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -40.31 5.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -81.48 4.27 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.32 38.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 71.6 mmtt -63.21 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 tt -81.03 -25.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 30.5 p-90 -85.97 -19.23 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -79.57 147.33 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -141.82 126.94 18.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.23 -37.84 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -58.65 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 31' ' ' LEU . 11.3 pt -73.85 -175.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -123.27 -178.43 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.08 -47.95 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -47.99 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.23 -50.26 71.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -41.64 -42.79 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -59.31 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -60.97 -21.35 63.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HG22 ' A' ' 35' ' ' VAL . 21.6 mt -72.27 -55.76 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.686 HD23 HG21 ' A' ' 108' ' ' VAL . 19.8 mt -57.98 -12.97 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.4 mtp -96.35 -26.61 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.6 p -105.88 -69.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.3 m -65.93 -24.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.27 -172.71 18.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.92 174.2 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' VAL . 4.7 t -38.49 140.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 38' ' ' VAL . 1.8 m 69.49 34.13 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 m -132.32 134.89 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -130.66 174.99 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.3 pp -165.21 145.6 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 55' ' ' LEU . 90.6 t -106.15 138.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 56' ' ' TYR . 3.6 ptm85 -140.43 143.59 33.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.38 7.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.752 2.302 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -52.48 113.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.91 -69.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -44.5 -24.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 47.8 m -130.08 95.14 28.97 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 53.4 Cg_endo -69.81 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.34 -10.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' CD ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -112.48 -174.7 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -144.2 166.27 25.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 p -149.47 129.89 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 43' ' ' VAL . 2.8 tp -93.55 138.57 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 15.5 m-85 -121.27 105.58 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -101.95 149.97 23.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -117.35 125.28 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -127.48 149.21 50.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -33.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -72.57 -65.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -166.14 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.31 130.76 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -101.96 -175.23 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -159.51 115.15 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -96.15 166.94 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.03 126.59 51.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.76 95.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.97 141.54 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' CD ' ' OD1' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.72 146.66 61.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -114.6 150.0 43.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.44 4.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -111.64 38.61 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 44.37 51.27 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -148.32 177.95 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -122.98 147.42 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.86 132.27 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.6 ttt -139.31 111.66 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.54 43.71 95.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.34 28.36 68.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -115.76 175.11 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -148.37 110.3 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CG ' HG12 ' A' ' 89' ' ' ILE . 69.7 m-85 -116.71 162.74 17.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.22 -46.29 88.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -163.17 167.66 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' GLY . 10.1 mt -49.7 -64.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -35.81 -40.95 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ILE . 3.0 m-20 -67.26 -56.45 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.484 HG12 ' CG ' ' A' ' 83' ' ' TYR . 60.5 mt -35.41 -42.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.5 mt -68.32 -60.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -46.13 -31.0 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -75.98 -49.71 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.7 m-85 -56.13 -30.7 62.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.03 -12.25 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.16 -30.44 6.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -120.38 112.96 19.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.669 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 4.9 pt20 -40.85 131.59 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 99' ' ' VAL . 7.4 tt -85.01 -17.93 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.5 t -121.22 175.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.639 ' H ' HG12 ' A' ' 99' ' ' VAL . 12.4 pt-20 -50.0 -27.45 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.91 54.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 62.6 m-85 -146.8 147.46 30.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.669 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 52.7 m-85 -127.77 151.94 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.8 mt -79.36 109.79 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -86.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.99 139.03 12.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.3 Cg_endo -69.77 175.91 7.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.686 HG21 HD23 ' A' ' 32' ' ' LEU . 78.1 t -89.22 133.69 34.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.78 145.89 58.41 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.46 150.11 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -96.44 132.44 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.12 84.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -40.8 -58.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 113' ' ' GLN . 46.9 m -34.51 120.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 170.91 158.68 15.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.549 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.06 15.37 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -50.37 100.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -123.57 171.99 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.532 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p -118.44 94.0 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -141.0 113.62 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.2 -45.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -38.25 133.55 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -112.25 126.05 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 102.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -52.61 99.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -111.56 176.25 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.93 146.71 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.68 148.92 38.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -44.89 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -57.88 -40.32 79.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.48 -4.81 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.32 -9.22 62.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 31.6 mmtp -55.03 157.17 3.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.64 -33.56 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 24.2 p-90 -77.66 -19.76 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 58.2 t80 -82.12 154.9 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -151.63 111.64 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -15.31 3.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -54.41 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 31' ' ' LEU . 18.4 pt -57.72 177.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -110.3 176.84 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -65.02 -29.02 69.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.36 -43.38 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -60.13 -40.12 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.92 -34.51 63.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.39 -53.18 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.9 m-20 -66.67 -41.5 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.657 ' CD1' HD13 ' A' ' 23' ' ' ILE . 19.3 mt -49.98 -58.76 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 17.0 mt -63.51 -12.54 33.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.694 ' HG2' HD11 ' A' ' 63' ' ' ILE . 60.8 mmm -104.72 -10.6 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ASN . 19.6 p -114.52 -63.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' LEU . 31.3 m -85.4 -23.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.9 21.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -116.18 -175.47 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 38' ' ' VAL . 88.0 t -65.07 -5.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -128.68 40.87 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -134.29 150.83 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.883 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.6 p90 -148.48 -179.33 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 171.3 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 55' ' ' LEU . 60.8 t -128.87 138.9 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 1.4 mtm105 -142.99 148.63 46.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 121.55 8.25 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -68.14 154.73 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.34 -41.05 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.84 -48.0 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.6 HG23 ' HD2' ' A' ' 50' ' ' PRO . 80.9 m -105.36 137.96 19.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.6 ' HD2' HG23 ' A' ' 49' ' ' THR . 53.3 Cg_endo -69.81 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.63 57.48 0.98 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.58 165.49 25.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -128.9 162.09 28.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -140.49 152.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.655 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -121.53 141.39 51.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 29.9 m-85 -125.85 118.76 26.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -123.58 149.18 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -107.62 122.23 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 p -117.23 179.65 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -67.88 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -83.27 -68.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -168.51 150.72 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.8 mt -51.99 125.34 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -92.93 -176.98 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -156.76 119.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -100.94 171.33 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -127.73 125.6 40.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.3 mt -109.51 122.66 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.9 t -115.25 134.12 22.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 156.59 62.82 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.328 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 77' ' ' MET . 74.7 p -132.93 151.8 78.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -105.02 41.28 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t30 40.6 45.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -141.34 -175.65 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.7 124.83 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.443 ' HG3' HG21 ' A' ' 71' ' ' THR . 38.7 mtp -89.11 119.82 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -64.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.74 -48.5 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.65 41.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -156.59 175.22 14.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -123.88 96.91 5.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -91.72 134.76 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -44.4 -40.24 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.3 p -164.33 168.08 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 90' ' ' ILE . 53.7 mt -54.89 -43.93 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.79 14.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -39.38 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 86' ' ' ILE . 83.3 mt -53.38 -32.24 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.5 mp -71.7 -69.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -51.22 -24.74 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -75.09 -54.64 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.42 -32.49 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -39.67 -35.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -29.78 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.22 121.57 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.6 pt20 -55.7 116.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 99' ' ' VAL . 9.3 tt -72.3 -18.82 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.4 t -121.11 176.58 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.644 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.3 pt-20 -56.14 -13.99 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -179.91 51.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 64.3 m-85 -154.96 131.3 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.516 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 96.6 m-85 -106.9 168.06 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.883 HD22 ' CD1' ' A' ' 41' ' ' PHE . 96.0 mt -91.65 96.34 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -67.42 -65.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -156.72 143.96 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.74 175.11 8.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.286 . . . . 0.0 112.382 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.33 126.72 59.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 173.32 11.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mtm -89.52 -174.93 4.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -112.74 64.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.81 150.38 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 101.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.0 m -81.37 152.15 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.69 144.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -165.92 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.7 p -119.28 82.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.3 m -154.92 121.39 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 38.27 42.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -121.01 150.81 40.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.59 -126.97 44.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -49.83 163.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -107.93 42.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.75 160.25 14.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -101.83 112.32 24.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.16 126.03 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -108.4 115.83 30.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.93 149.44 48.78 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.74 2.51 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -56.05 -35.6 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.94 159.88 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 -26.21 24.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.513 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.0 mmtt -56.65 168.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.4 tt -93.83 -28.39 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 15.1 p-90 -83.99 -37.4 22.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 57.6 t80 -61.93 120.36 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.56 92.38 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.19 -7.9 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -86.67 -39.5 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 24' ' ' SER . 1.2 pp -84.9 176.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 23' ' ' ILE . 71.7 m -120.57 150.82 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 44' ' ' ARG . 45.3 tttm -33.29 -59.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -41.28 -49.51 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 3.5 mp0 -65.59 -57.02 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -34.94 -35.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 10.4 m-85 -66.1 -50.11 65.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 34' ' ' THR . 2.8 m-20 -69.22 -20.91 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 28' ' ' ALA . 28.8 mt -71.42 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.54 -12.12 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -100.29 -28.12 13.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 30' ' ' ASN . 60.6 p -99.22 -72.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 36' ' ' GLY . 31.6 m -72.39 -47.46 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -80.39 169.89 52.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 38' ' ' VAL . 8.1 tt0 -156.49 174.97 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 37' ' ' GLN . 4.7 t -34.65 142.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 m 68.73 35.2 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.5 p -124.37 143.08 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -139.04 161.0 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -164.98 151.19 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.657 HG22 HD12 ' A' ' 55' ' ' LEU . 11.4 t -119.11 148.99 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.7 ptm180 -151.01 142.75 15.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 127.35 14.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.7 t -57.14 102.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -44.4 -59.41 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -56.6 -46.48 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.5 m -104.6 92.36 4.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 111.179 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.12 -29.54 0.89 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.24 177.85 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -149.09 149.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -140.51 123.03 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD12 HG22 ' A' ' 43' ' ' VAL . 12.6 tp -76.43 153.57 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.401 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 45.3 m-85 -134.02 95.81 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.63 143.65 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' ' CG1' ' A' ' 63' ' ' ILE . 9.4 tpt180 -110.18 131.85 54.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.4 p -133.99 165.24 25.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -48.75 -40.46 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.31 -62.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -174.72 172.54 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG1' ' HD2' ' A' ' 58' ' ' ARG . 95.5 mt -78.24 123.45 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -91.88 -179.45 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -150.36 126.82 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.495 ' CD1' HD23 ' A' ' 55' ' ' LEU . 8.4 m-85 -104.06 176.46 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -127.21 132.37 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 77' ' ' MET . 62.2 mt -130.0 115.39 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.55 133.73 21.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.56 51.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.6 p -123.26 143.74 41.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.567 0.699 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.87 22.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.6 16.32 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 67.48 33.73 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -140.49 173.51 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.5 121.01 31.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' ILE . 59.5 mtp -78.79 141.78 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.41 19.19 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.32 -3.76 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.9 -15.48 0.91 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -111.21 151.18 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.99 140.57 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' ASN . 51.9 m-85 -133.41 138.43 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' TYR . 22.0 t30 -34.49 -57.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 m -169.44 164.19 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.3 mt -45.14 -51.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.13 -40.71 52.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.17 -53.36 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 83' ' ' TYR . 23.7 mt -40.33 -34.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.7 mt -74.65 -46.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.59 -38.0 88.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -67.41 -33.8 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 3.1 m-85 -74.19 -28.51 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -54.13 -27.0 30.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 -15.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -125.6 120.57 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 88.7 mt-30 -50.31 114.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.571 HG23 HG23 ' A' ' 99' ' ' VAL . 9.6 tt -67.71 -24.58 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.02 -176.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.739 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.2 pt-20 -52.78 -20.43 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.67 52.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -142.81 142.45 31.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 48.2 m-85 -109.42 168.34 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 41' ' ' PHE . 90.8 mt -93.65 99.73 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -158.74 143.87 11.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.06 10.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' A' ' 109' ' ' PRO . 70.3 t -83.79 133.76 45.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.459 ' HD2' HG13 ' A' ' 108' ' ' VAL . 54.0 Cg_endo -69.73 161.31 46.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mtm -80.67 -179.2 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.416 ' OE1' HG11 ' A' ' 35' ' ' VAL . 7.7 mm100 -126.74 54.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -44.03 109.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -87.91 138.19 31.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 t -166.49 123.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.84 149.18 25.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 128.97 16.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.3 t -144.4 136.8 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -98.22 147.35 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -167.54 148.68 5.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.824 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -57.95 122.43 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.39 144.91 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -131.31 -51.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 162.27 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.99 59.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -103.74 117.71 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.21 156.05 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -105.36 139.13 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.69 161.34 59.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -42.22 3.58 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -61.02 -34.14 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -61.63 -21.94 64.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.17 -18.69 68.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -69.98 146.21 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 tt -82.57 -36.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.526 ' CZ3' HG21 ' A' ' 86' ' ' ILE . 36.5 p-90 -74.28 -15.54 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -81.69 133.63 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.416 ' HB2' HD13 ' A' ' 42' ' ' LEU . 21.6 m-70 -134.79 91.15 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.94 -21.34 8.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.5 -41.5 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 pt -62.18 -178.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -110.24 -175.87 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -71.72 -37.03 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.61 -51.97 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.93 -43.46 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -41.44 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.54 -41.56 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 34' ' ' THR . 55.8 t30 -74.81 -31.27 61.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 35' ' ' VAL . 81.5 mt -66.23 -59.74 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.676 ' HG ' HD23 ' A' ' 42' ' ' LEU . 15.9 mt -60.71 -15.97 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.9 -19.92 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 30' ' ' ASN . 80.7 p -113.55 -74.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.19 -20.9 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.84 -172.81 34.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -155.29 179.95 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.3 t -64.25 -6.17 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.55 26.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.72 150.68 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' HD22 ' A' ' 104' ' ' LEU . 28.8 p90 -139.71 173.02 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.829 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -164.55 141.35 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 42' ' ' LEU . 61.4 t -105.44 137.38 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -135.73 143.35 44.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 128.42 16.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . 2.5 t -57.8 150.6 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -94.46 -61.76 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -43.07 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 51' ' ' GLY . 27.2 m -94.35 125.77 50.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 111.111 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 4.99 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.707 ' H ' HG22 ' A' ' 49' ' ' THR . . . -151.34 62.57 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 31.5 t70 -153.17 162.3 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.62 172.19 13.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -160.78 144.88 13.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.2 tt -101.51 145.03 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.463 ' N ' HD23 ' A' ' 55' ' ' LEU . 4.6 m-85 -123.7 120.94 34.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -125.0 142.32 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' HE1' ' A' ' 33' ' ' MET . 7.2 tpt180 -97.8 131.18 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.7 p -132.72 165.83 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -50.65 -42.63 56.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.98 -68.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -166.43 158.79 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' A' ' 33' ' ' MET . 67.9 mt -63.24 117.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -75.22 178.37 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -157.0 116.12 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.36 176.82 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -138.17 127.15 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.53 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.3 m -91.3 142.85 27.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.57 68.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 77' ' ' MET . 28.4 p -126.61 147.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.96 32.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 47.75 38.2 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -132.75 175.74 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -119.64 140.35 50.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG3' HG21 ' A' ' 71' ' ' THR . 40.8 mtp -106.68 120.27 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.3 68.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.54 -62.05 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.47 35.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -146.36 146.73 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 132.64 48.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 89' ' ' ILE . 66.2 m-85 -130.06 152.2 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.48 -48.16 73.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' ILE . 71.0 mt -38.4 -46.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.47 -48.09 42.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.32 -53.87 31.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.2 mt -41.23 -43.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.1 mp -66.7 -58.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -46.74 -37.29 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -77.97 -37.66 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 104' ' ' LEU . 3.1 m-30 -67.78 -26.05 65.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 11.2 mtp-105 -49.29 -26.3 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 96' ' ' GLU . 10.6 ptmt -106.77 -27.21 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 95' ' ' LYS . 9.0 mp0 -100.67 115.62 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 92.5 mt-30 -50.9 114.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.693 HG23 HG23 ' A' ' 99' ' ' VAL . 13.2 tt -69.02 -21.54 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.734 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -124.21 -174.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.734 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -81.4 39.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.55 36.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.415 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 74.2 m-85 -150.43 141.44 22.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.397 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 13.0 m-85 -114.15 172.43 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 41' ' ' PHE . 41.6 mt -98.18 100.59 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -75.23 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.75 143.94 11.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.483 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.7 -177.28 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -97.29 130.79 28.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 171.62 14.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.6 mtm -84.71 -175.8 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ASP . 8.3 mm-40 -126.2 81.99 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' GLN . 1.2 p30 -37.14 129.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -50.73 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 p -123.62 173.05 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.51 146.19 18.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 159.09 54.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 t -89.09 159.37 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.1 t -58.4 100.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -151.39 164.71 36.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 156.57 23.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 -146.76 16.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -126.24 83.55 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 m -111.66 110.21 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -91.13 97.23 2.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.8 ttp180 -37.11 120.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -88.99 157.78 18.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -77.8 124.14 27.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -109.11 147.52 36.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.55 3.35 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.734 2.289 . . . . 0.0 112.344 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -50.84 -44.24 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.1 pp20? -87.41 157.16 19.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.49 -21.6 40.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -58.56 168.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 tt -84.35 -28.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.575 ' CH2' HG21 ' A' ' 86' ' ' ILE . 35.9 p-90 -88.89 -15.16 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 77.5 t80 -87.09 147.69 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -136.7 127.46 27.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.96 -28.82 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -75.3 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.5 pt -55.24 -175.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 m -123.84 -179.47 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -58.65 -52.22 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -53.45 -59.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -40.44 -52.46 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.45 -49.45 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -54.27 -59.42 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -53.59 -43.19 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.1 mt -56.54 -62.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.82 -12.63 4.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.44 -18.41 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 -74.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.99 -34.86 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.14 167.62 34.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' H ' ' CB ' ' A' ' 40' ' ' SER . 4.8 tt0 -131.56 -177.63 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 17.0 t -61.56 -8.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 18.9 p -125.28 35.17 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.421 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 86.4 p -125.74 147.31 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CD2' HD22 ' A' ' 104' ' ' LEU . 14.0 p90 -136.5 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -173.58 144.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 55' ' ' LEU . 61.6 t -104.07 160.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 43' ' ' VAL . 14.8 ptt85 -165.03 143.02 5.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 114.96 3.88 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -44.88 102.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.77 -35.54 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -70.36 -54.2 13.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 m -93.37 117.93 67.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.599 0.714 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 115.27 4.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.76 5.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.33 158.29 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -128.02 169.37 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 p -159.72 130.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 43' ' ' VAL . 5.3 tp -84.39 148.5 26.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.72 112.5 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 63' ' ' ILE . 52.8 t80 -119.63 152.81 36.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 19.6 tpt180 -99.9 134.8 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.6 p -128.85 154.79 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -41.77 -37.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.12 -75.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -158.86 153.48 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 57' ' ' PHE . 23.7 mt -53.04 134.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -90.05 -176.97 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -151.79 114.4 4.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -100.92 173.42 6.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -131.04 130.91 43.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.88 101.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.0 m -95.23 141.8 23.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 149.82 67.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.41 HG21 ' HG3' ' A' ' 77' ' ' MET . 67.5 p -127.94 148.71 68.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 0.03 6.22 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -105.83 38.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 42.19 46.75 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 83' ' ' TYR . 39.8 mt-30 -146.04 176.62 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.73 140.0 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 71' ' ' THR . 29.4 mtp -106.46 124.85 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.8 ttt -122.38 93.24 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.74 -62.94 2.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.49 28.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -126.02 176.03 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -131.02 120.12 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 84.3 m-85 -119.93 159.22 25.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.14 -50.44 70.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m -160.77 167.27 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.575 HG21 ' CH2' ' A' ' 18' ' ' TRP . 74.7 mt -48.2 -60.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.55 -44.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ILE . 10.5 t70 -62.73 -57.8 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 86' ' ' ILE . 72.0 mt -35.0 -45.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.2 mp -58.98 -59.82 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -53.64 -55.91 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -48.15 -31.29 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.402 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.7 m-85 -80.64 -39.28 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -46.83 -28.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -17.69 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.31 116.92 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.3 pt20 -48.48 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 99' ' ' VAL . 11.9 tt -55.79 -23.18 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -116.72 173.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.618 ' H ' HG12 ' A' ' 99' ' ' VAL . 8.4 pt-20 -44.54 -26.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -172.04 57.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 44.7 m-85 -153.27 143.17 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 95.8 m-85 -118.27 172.12 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 41' ' ' PHE . 63.4 mt -89.8 127.67 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 39' ' ' CYS . 27.1 mmtm -103.96 -68.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -150.02 138.78 12.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.403 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 40' ' ' SER . 21.3 t -97.99 128.97 32.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 149.92 67.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.84 148.57 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -105.29 127.73 53.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -102.62 103.98 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -115.47 -58.95 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 p -126.13 124.24 40.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.99 -158.81 32.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.16 34.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.272 . . . . 0.0 112.292 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -132.41 93.81 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 t -168.93 157.42 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 45.95 42.46 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -118.58 123.9 46.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 168.58 25.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -40.14 160.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -88.38 111.13 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 145.7 11.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -114.79 105.2 12.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -63.35 178.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -108.9 111.94 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -92.0 143.8 28.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.546 0.689 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.98 3.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -61.15 -21.38 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.88 6.03 49.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -135.48 43.34 1.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -92.93 155.12 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 109' ' ' PRO . 2.3 tp -67.71 -35.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -83.3 -31.79 26.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -72.19 147.17 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -148.81 105.87 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.48 -8.83 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' ILE . 14.4 pttp -82.93 -43.81 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.752 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.9 pt -72.59 -175.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -120.38 164.9 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 78.1 tttt -47.53 -59.89 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -46.27 -60.36 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -46.5 20.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . -45.47 -45.74 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -56.28 -44.89 80.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.39 -45.89 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 23' ' ' ILE . 14.0 mt -47.9 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 42' ' ' LEU . 9.2 mt -61.77 -11.65 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -94.62 -14.16 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -128.45 -72.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.7 m -64.7 -22.62 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.51 175.39 19.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -145.92 -175.68 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.801 HG13 ' HA ' ' A' ' 59' ' ' THR . 36.3 t -65.76 -3.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.7 m -119.9 29.99 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -146.07 145.05 30.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 55' ' ' LEU . 6.0 p90 -132.72 173.66 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -159.96 138.67 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.06 148.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -151.78 139.37 12.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.07 12.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.7 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -123.1 -75.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' THR . 4.6 m120 -57.69 -67.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' ASN . 69.8 p -34.47 151.87 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 111.117 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 79.69 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.54 41.82 93.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.25 166.0 12.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -119.17 172.04 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -162.75 126.27 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 41' ' ' PHE . 5.5 tt -85.77 148.06 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.575 ' N ' HD23 ' A' ' 55' ' ' LEU . 89.6 m-85 -124.99 107.62 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -118.18 147.25 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 7.8 tpt180 -98.95 136.26 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.801 ' HA ' HG13 ' A' ' 38' ' ' VAL . 18.9 p -128.98 170.01 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -54.75 -41.26 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.44 -64.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.75 164.37 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 33' ' ' MET . 59.3 mt -59.94 124.4 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.34 178.03 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -144.79 114.99 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -101.65 156.0 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -120.07 120.67 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -113.42 118.61 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 m -109.84 142.11 25.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 165.6 30.52 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -138.25 145.28 46.6 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.09 3.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.86 21.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.88 33.44 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.36 -178.49 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.4 m-85 -128.68 131.47 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.4 mtp -97.42 122.43 40.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.72 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.27 60.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.26 26.87 54.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.84 177.55 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -131.37 131.08 43.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 89' ' ' ILE . 95.8 m-85 -134.2 132.5 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' TYR . 8.7 t-20 -37.3 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 32.9 t -150.02 161.7 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 89' ' ' ILE . 86.3 mt -45.43 -48.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.19 -47.58 4.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.446 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.41 -56.68 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 86' ' ' ILE . 71.0 mt -37.06 -36.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.74 -69.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.26 -38.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -67.59 -45.01 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.94 -37.55 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -49.1 -28.91 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -99.03 -16.68 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -124.83 119.09 27.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 1.5 pt20 -44.57 115.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 99' ' ' VAL . 7.5 tt -73.85 -24.27 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.1 t -118.45 -174.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.9 pt-20 -82.65 38.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.598 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 141.96 35.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 13.8 m-85 -150.23 148.37 28.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 60.0 m-85 -126.52 168.14 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 61.9 mt -94.79 88.74 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -65.93 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -154.13 141.76 13.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.5 t -67.93 124.58 89.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' HD11 ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.8 154.14 67.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.643 2.229 . . . . 0.0 112.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.3 mtm -82.29 176.57 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -114.38 86.62 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -52.2 123.92 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.15 49.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 t -120.29 157.49 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.95 -171.49 53.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 157.25 61.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 p -123.69 -4.4 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -133.11 78.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -124.35 88.5 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -155.78 158.88 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.84 95.85 1.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -47.14 147.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -79.35 151.85 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.6 57.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -103.78 113.15 26.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -114.89 144.52 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.8 123.68 29.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -117.77 156.63 49.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -50.67 -40.69 54.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.14 131.65 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -28.76 8.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -54.85 157.32 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -82.66 -34.06 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 34.7 p-90 -78.24 -27.06 47.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 31.9 t80 -74.36 156.78 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -151.77 127.65 10.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -39.88 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -40.43 82.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 pt -68.68 -178.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 m -122.61 164.18 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -46.84 -52.86 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -39.9 -56.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -34.02 -51.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.87 -51.64 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.42 -48.64 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 28' ' ' ALA . 10.8 mt -47.55 -53.78 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' HG ' HD23 ' A' ' 42' ' ' LEU . 18.6 mt -60.04 -16.59 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.557 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.3 -22.12 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 p -112.11 -74.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 108' ' ' VAL . 21.5 m -65.75 -19.29 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.07 161.54 13.06 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -146.2 -178.05 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' SG ' ' A' ' 39' ' ' CYS . 5.0 t -40.48 140.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' HG12 ' A' ' 38' ' ' VAL . 4.6 m 67.32 40.14 2.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -127.58 137.99 52.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CD2' HD22 ' A' ' 104' ' ' LEU . 2.5 p90 -133.45 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.2 pp -159.48 147.52 17.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -108.07 140.2 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 45' ' ' PRO . 28.6 ptt85 -150.33 151.71 31.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 54.0 Cg_endo -69.75 149.27 66.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -83.94 136.5 34.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ASN . 1.2 m-20 -77.83 163.76 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ASP . 19.5 m120 34.01 48.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.51 161.43 52.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 0.0 111.118 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 7.61 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.69 2.68 7.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -45.45 162.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -126.85 158.53 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -147.85 130.87 16.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.2 tt -101.04 149.88 23.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.6 ' N ' HD23 ' A' ' 55' ' ' LEU . 9.7 m-85 -129.14 131.88 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' A' ' 99' ' ' VAL . 16.7 t80 -119.29 156.49 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -117.84 131.55 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 57' ' ' PHE . 44.8 p -140.87 157.97 44.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -47.28 -43.96 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.13 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -168.87 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.8 mt -82.19 124.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.01 177.51 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -148.41 134.51 19.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.01 164.47 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 122.99 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt -112.83 108.35 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.8 m -99.17 142.14 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.7 41.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.436 HG21 ' HG3' ' A' ' 77' ' ' MET . 38.8 p -137.67 144.55 45.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -13.23 34.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -87.58 22.31 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' GLN . 71.6 m-20 57.48 49.77 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' A' ' 74' ' ' ASN . 6.7 mm100 -145.85 -176.23 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -130.82 131.21 44.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.436 ' HG3' HG21 ' A' ' 71' ' ' THR . 14.4 mtp -104.58 127.14 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 ttt -120.86 -56.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.37 46.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.41 85.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.6 161.33 21.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.32 120.16 40.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.522 ' CG ' HG12 ' A' ' 89' ' ' ILE . 2.9 m-85 -114.24 165.03 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.49 -51.5 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -167.26 160.17 13.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.1 mt -40.91 -51.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.57 -55.17 5.41 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ILE . 26.0 t0 -57.65 -57.7 11.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.522 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.9 mt -36.96 -49.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 104' ' ' LEU . 29.4 mt -57.57 -61.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 26.8 t70 -51.48 -56.98 10.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -49.45 -29.22 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -78.97 -31.85 45.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 91' ' ' ASP . 24.7 mmt180 -41.93 -43.37 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -19.19 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -102.32 116.18 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 103' ' ' TYR . 71.5 mt-30 -52.93 94.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 ' CG2' ' A' ' 99' ' ' VAL . 14.1 tt -57.76 -16.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -126.42 178.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.659 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.2 pt-20 -41.29 -27.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.81 48.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -134.68 136.24 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 97' ' ' GLN . 89.9 m-85 -104.07 166.56 10.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.621 HD22 ' CD2' ' A' ' 41' ' ' PHE . 45.7 mt -89.75 97.62 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -71.25 -63.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.92 141.59 4.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.434 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.76 174.27 9.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 109' ' ' PRO . 96.8 t -84.69 138.47 37.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.635 0.731 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.73 172.98 11.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.8 mtm -85.59 -177.23 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -124.59 86.55 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.2 119.26 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.92 150.51 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 m -162.61 127.2 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.85 168.15 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 101.01 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.7 t -49.25 103.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -84.07 -51.63 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -93.51 -49.18 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -82.74 159.37 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.4 -57.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -100.82 175.46 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -55.65 169.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.1 175.12 49.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -144.71 171.06 14.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.4 170.25 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -124.57 171.23 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -128.15 149.82 72.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -40.69 4.93 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.254 . . . . 0.0 112.301 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -55.29 -32.32 62.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -67.08 -14.16 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.58 -13.83 57.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -64.88 160.41 20.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -90.63 -32.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 31.4 p-90 -79.18 -18.51 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 88.2 t80 -81.89 157.11 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -151.02 138.47 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 -41.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.69 -34.15 73.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 pt -78.85 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 t -126.95 161.2 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -38.17 -64.41 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 17.4 mp0 -42.31 -53.51 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.1 -53.01 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -38.36 -42.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.95 -66.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -47.97 -35.37 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 28' ' ' ALA . 12.9 mt -62.32 -53.28 57.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 10.1 mt -69.03 -3.34 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.493 ' SD ' HD11 ' A' ' 63' ' ' ILE . 86.2 mmm -102.96 -19.44 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -119.3 -74.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.65 -18.75 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.3 156.94 18.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -118.34 176.94 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.1 t -65.03 -6.9 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.34 35.32 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.84 141.42 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CD2' HD11 ' A' ' 55' ' ' LEU . 29.7 p90 -130.7 -177.74 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.2 pp -165.42 163.46 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.484 HG22 HD12 ' A' ' 55' ' ' LEU . 93.1 t -127.6 128.63 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -131.05 143.85 51.12 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.87 10.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t -58.21 173.61 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -119.0 -46.35 2.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -65.07 -56.81 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -80.82 124.88 81.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.74 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.2 51.73 4.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -124.29 170.95 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -139.7 152.3 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.0 m -138.18 135.03 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 43' ' ' VAL . 5.0 tp -96.16 143.82 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 46.5 m-85 -131.52 109.24 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -116.28 149.15 39.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -101.79 130.81 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -131.07 161.62 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -48.61 -40.28 27.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -72.03 -74.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -161.88 160.99 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 ' SD ' ' A' ' 33' ' ' MET . 84.9 mt -61.24 127.64 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.9 173.11 8.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -148.75 116.83 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.04 167.79 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.08 120.22 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.1 mt -109.13 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.54 133.98 35.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.716 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.5 35.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.4 p -108.45 150.99 41.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.23 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -89.09 37.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 45.25 53.7 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -147.41 -175.03 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -134.77 134.77 41.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 mtp -99.31 116.01 30.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.41 87.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.27 59.59 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.11 27.23 59.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -136.35 134.47 37.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.12 151.69 19.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.474 ' CG ' HG12 ' A' ' 89' ' ' ILE . 57.0 m-85 -147.19 158.54 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.51 -49.74 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ILE . 4.1 m -162.9 151.51 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 89' ' ' ILE . 57.9 mt -34.14 -62.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.14 -41.39 2.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 22.6 t70 -64.65 -53.81 41.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 86' ' ' ILE . 52.5 mt -39.85 -40.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' HIS . 34.9 mt -71.22 -67.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' ILE . 1.6 m-20 -37.04 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' ILE . 25.6 t-80 -73.9 -55.86 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 6.3 m-85 -55.47 -29.8 59.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -51.34 -33.04 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -105.27 -15.57 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -119.09 124.69 47.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.9 pt20 -54.11 116.08 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 HG23 ' A' ' 99' ' ' VAL . 13.7 tt -72.69 -24.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.72 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -118.08 -174.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -82.17 39.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.525 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 140.91 34.85 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 41.2 m-85 -152.42 139.61 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 65.8 m-85 -115.45 174.25 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 93' ' ' TYR . 81.7 mt -101.06 106.81 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -81.14 -73.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -145.27 143.5 20.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.74 166.9 26.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.54 124.04 87.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.11 62.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 155.25 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -99.3 86.27 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.3 t -123.21 80.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.45 146.9 8.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.2 25.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.8 p -61.33 176.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.5 p -47.63 169.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -115.69 -50.48 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 m -86.54 -59.24 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.07 50.06 40.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -116.13 125.87 52.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -78.14 99.1 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.62 -158.07 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -119.63 127.05 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.311 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -120.03 98.25 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -115.35 156.08 26.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.12 144.31 51.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.16 -32.14 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.77 19.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.48 34.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 51.9 mmtt -81.5 137.99 35.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.315 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 18' ' ' TRP . 16.3 tt -44.94 -43.78 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.5 ' N ' HG23 ' A' ' 17' ' ' ILE . 42.6 p-90 -76.44 -38.06 56.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -64.06 122.82 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -123.13 93.12 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.87 -17.19 11.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -76.43 -55.7 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.8 pt -51.25 -176.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -123.7 158.72 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -42.34 -56.85 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -52.31 -55.73 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -46.68 55.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -45.63 -39.19 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -67.25 -53.82 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -59.74 -31.8 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.2 mt -64.57 -61.44 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.3 mt -58.0 -12.47 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.5 -19.21 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -112.65 -74.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 36' ' ' GLY . 5.1 m -69.13 -44.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.503 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -81.64 143.89 23.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' OG ' ' A' ' 40' ' ' SER . 12.1 mm-40 -115.11 -177.03 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.2 t -57.43 -12.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -120.03 34.15 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 37' ' ' GLN . 53.8 p -132.9 141.16 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -136.55 173.23 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 42' ' ' LEU . 3.9 pp -163.73 144.68 8.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.17 124.05 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -123.81 140.34 34.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.72 26.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 1.8 m -86.94 143.77 27.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' ASN . 17.5 p-10 -94.08 -38.06 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ASP . 41.0 m-20 -35.58 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 50' ' ' PRO . 89.2 m -94.82 139.09 22.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.74 93.27 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.366 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.12 30.77 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 28.5 p30 -107.69 171.74 7.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.79 162.75 34.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -154.05 132.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.3 tt -99.54 150.6 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.521 ' N ' HD23 ' A' ' 55' ' ' LEU . 14.4 m-85 -127.46 144.35 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -149.12 146.1 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 14.0 tpt180 -99.99 130.31 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.437 ' HA ' HG13 ' A' ' 38' ' ' VAL . 21.1 p -125.4 169.9 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -57.03 -31.36 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -84.45 -67.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -165.26 162.57 19.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.18 121.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -86.04 -176.55 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -152.53 125.47 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -109.52 153.24 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -110.32 135.75 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.3 mt -128.1 118.09 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.0 143.38 26.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.07 25.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 77' ' ' MET . 73.0 p -140.31 146.08 44.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.31 23.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -93.46 25.96 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 55.37 47.87 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.04 178.01 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -127.72 131.53 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.51 ' HG3' HG21 ' A' ' 71' ' ' THR . 5.3 mtm -96.4 130.54 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -41.99 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.6 54.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.13 17.03 80.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -135.31 146.98 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -92.72 135.18 34.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASN . 43.3 m-85 -128.28 143.99 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' TYR . 24.2 m-80 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -170.91 162.01 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.9 mt -40.05 -54.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.4 -41.58 32.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.47 -55.78 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 77.9 mt -37.73 -41.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.94 -65.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -43.89 -44.14 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -60.95 -39.51 89.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.36 -38.17 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -47.35 -31.34 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -101.3 -20.48 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.49 119.05 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.606 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 1.1 pt20 -47.31 120.36 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.612 HG23 HG23 ' A' ' 99' ' ' VAL . 15.3 tt -79.71 -31.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -108.99 -175.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.729 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.3 pt-20 -83.4 36.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.49 33.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -150.58 142.62 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.921 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.606 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 29.0 m-85 -117.8 169.46 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.86 99.12 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -73.15 -72.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -143.6 143.92 25.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 118.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.98 6.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.29 174.19 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.443 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 15.1 mp0 -108.43 84.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.23 115.31 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -106.04 -59.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.6 t -87.14 156.26 19.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.78 162.67 11.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.8 27.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.7 p -165.16 160.77 18.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.9 p -71.86 119.32 15.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -73.74 -56.63 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 p -74.97 96.43 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.58 -136.62 5.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -170.34 118.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -46.39 123.98 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.85 163.87 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -119.47 108.12 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -78.94 140.02 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -119.7 177.96 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -133.74 154.83 80.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.06 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.419 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -46.36 -39.61 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -45.48 129.48 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.38 -40.32 2.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 61.1 mmtt -49.44 139.98 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 18' ' ' TRP . 20.4 tt -66.17 -40.93 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.5 p-90 -70.03 -14.24 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.414 ' HB2' HD13 ' A' ' 42' ' ' LEU . 32.3 m80 -150.53 124.65 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.94 -32.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -64.01 -43.39 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 31' ' ' LEU . 12.2 pt -68.25 -175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 t -118.08 -174.98 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -69.67 -52.01 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -61.23 -38.66 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -48.13 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.09 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.28 -44.9 92.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' THR . 6.2 m-20 -67.57 -45.74 74.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.689 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.9 mt -49.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 28.0 mt -57.82 -13.24 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.751 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -102.48 -13.82 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASN . 12.1 p -111.03 -75.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' CG2' ' A' ' 108' ' ' VAL . 2.7 m -75.47 -36.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 37' ' ' GLN . . . -70.93 -170.68 10.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 82.8 mt-30 -159.79 -176.81 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.7 t -69.86 -0.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 m -132.87 42.1 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -147.64 153.42 39.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' HD2' HD11 ' A' ' 55' ' ' LEU . 1.9 p90 -147.35 -178.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.9 pp -168.57 152.65 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 55' ' ' LEU . 56.7 t -109.0 132.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -132.38 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.7 16.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 2.8 m -60.1 128.58 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 10.4 t0 -83.35 156.34 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 9.4 p30 45.42 27.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 m -138.61 129.64 15.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.707 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.6 Cg_endo -69.76 124.94 11.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 37.35 71.64 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 0.5 OUTLIER -141.81 161.71 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -148.49 162.97 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -151.76 135.75 16.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 43' ' ' VAL . 12.9 tp -90.45 161.89 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 27.3 m-85 -143.33 112.45 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.09 146.97 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -100.5 144.36 29.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.521 HG21 ' OE1' ' A' ' 64' ' ' GLN . 71.4 p -141.09 172.27 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -58.08 -43.63 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.09 -68.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -165.32 157.63 15.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.2 mt -59.66 122.89 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.521 ' OE1' HG21 ' A' ' 59' ' ' THR . 10.5 pt20 -105.37 165.02 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -144.57 157.11 44.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.517 ' HZ ' HE21 ' A' ' 64' ' ' GLN . 5.2 m-85 -129.28 168.65 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -119.55 136.74 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.84 121.27 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.69 140.55 21.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 167.08 25.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.1 p -142.18 144.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.13 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -95.44 22.21 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 59.02 31.77 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -131.87 -176.53 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.28 139.95 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 mtp -108.56 128.64 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 ttt -128.29 100.32 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.54 -58.55 4.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.48 32.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -135.98 177.26 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -125.03 132.58 53.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -132.54 137.58 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -41.77 -49.54 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -164.98 161.09 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 90' ' ' ILE . 73.2 mt -47.59 -49.22 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.31 -38.64 12.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.34 -54.01 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.536 HG22 ' CE2' ' A' ' 93' ' ' TYR . 8.4 mt -37.05 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.4 mp -64.87 -54.73 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.73 -27.22 69.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.07 -37.26 64.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.536 ' CE2' HG22 ' A' ' 89' ' ' ILE . 10.4 m-85 -78.71 -37.65 41.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -46.9 -27.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -109.03 -11.24 14.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -123.68 117.46 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.5 pt20 -46.75 115.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 99' ' ' VAL . 13.9 tt -77.14 -18.89 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -124.38 -174.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.63 36.29 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -151.83 139.37 19.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.51 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 53.1 m-85 -117.16 163.02 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 85.4 mt -87.82 98.54 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -74.19 -71.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.68 136.98 11.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.35 42.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.687 ' CG2' HG23 ' A' ' 35' ' ' VAL . 7.2 p -66.54 133.9 94.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 108' ' ' VAL . 53.9 Cg_endo -69.73 171.78 13.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.2 mtm -101.63 -177.18 3.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -127.41 84.35 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -39.0 133.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -107.0 -67.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 t 54.11 28.94 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -173.92 127.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.3 11.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 m -97.62 108.16 20.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.6 p -68.23 155.39 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -126.27 128.25 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -66.14 86.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.48 63.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -61.15 -51.65 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -104.36 143.69 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -144.4 92.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.0 ttm180 33.81 47.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -139.82 136.09 33.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -124.5 138.12 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 5.6 t70 -122.47 140.68 33.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -59.08 -37.43 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.87 42.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.27 -32.99 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 38.0 mmtt -44.12 143.55 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.14 -30.32 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 47.0 p-90 -81.45 -28.33 34.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -78.42 132.45 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -132.07 118.56 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -29.66 1.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -41.73 98.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG21 HD11 ' A' ' 31' ' ' LEU . 32.0 pt -69.59 172.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -111.58 175.94 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' NH2' ' A' ' 44' ' ' ARG . 30.3 tttm -57.88 -53.43 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 -59.06 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.9 mt-10 -45.13 -56.1 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.44 -49.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.09 -46.99 82.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.8 m-20 -65.69 -41.2 92.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 23' ' ' ILE . 40.7 mt -54.09 -65.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 11.2 mt -49.41 -18.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.683 ' SD ' HD11 ' A' ' 63' ' ' ILE . 93.2 mmm -91.1 -28.97 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.7 p -103.7 -74.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 36' ' ' GLY . 35.3 m -64.64 -45.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -76.25 -170.54 30.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.49 178.57 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 38' ' ' VAL . 14.4 p -70.75 1.16 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.7 20.69 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -133.8 158.02 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.0 p90 -144.7 179.78 7.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.6 pp -166.84 158.39 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 55' ' ' LEU . 61.2 t -113.22 133.21 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ttt-85 -138.54 140.09 26.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -58.64 170.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -116.77 -54.28 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -50.52 -52.63 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 m -92.52 118.33 67.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 101.18 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.51 34.37 3.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -124.37 177.13 6.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 45' ' ' PRO . 70.3 m-85 -147.62 174.17 12.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -161.04 143.12 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 41' ' ' PHE . 7.2 tp -96.83 139.21 33.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.481 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 73.6 m-85 -120.31 106.27 11.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -120.39 143.75 48.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 10.5 tpt180 -101.02 135.3 42.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' GLU . 72.8 p -119.41 150.42 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' THR . 18.2 p30 -33.79 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' THR . 33.7 tt0 -82.21 -74.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -149.29 -176.08 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.683 HD11 ' SD ' ' A' ' 33' ' ' MET . 69.5 mt -84.69 133.42 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -96.54 -178.78 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -149.5 113.64 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.21 179.01 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -131.66 137.59 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.5 mt -131.59 118.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.42 135.22 21.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.76 41.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 31.8 p -107.9 148.93 38.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.06 11.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -105.43 50.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ASN . 75.6 m-80 37.09 51.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -151.31 -175.69 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -128.99 160.52 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.458 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 37.1 mtp -118.43 118.71 32.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 84.64 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.56 61.54 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.84 38.9 60.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.22 169.32 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.4 130.23 42.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CD1' HG12 ' A' ' 89' ' ' ILE . 91.3 m-85 -138.09 146.6 43.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -41.41 -48.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ILE . 3.2 m -172.88 157.85 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . 76.6 mt -34.45 -52.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.49 -45.42 17.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -64.44 -54.74 27.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 83' ' ' TYR . 87.3 mt -37.07 -31.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 71.7 mt -71.47 -62.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.3 -38.35 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -64.57 -44.56 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.542 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 10.8 m-85 -68.33 -31.04 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -50.94 -36.76 40.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -99.28 -12.33 20.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -125.73 116.47 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 34.7 mt-30 -54.23 111.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 99' ' ' VAL . 9.1 tt -61.83 -35.78 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.7 t -104.76 178.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.719 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.0 pt-20 -35.26 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.58 50.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.443 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 12.0 m-85 -126.47 145.91 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 28.4 m-85 -116.07 156.59 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.7 mt -87.3 91.61 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -60.91 -69.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.81 142.08 15.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.37 62.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.424 HG21 HD23 ' A' ' 32' ' ' LEU . 60.2 t -54.42 122.21 36.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 162.82 40.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.8 mtm -96.9 -174.9 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -112.9 36.07 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 113' ' ' GLN . 28.0 t0 -41.51 134.47 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 112' ' ' ASP . 32.4 mm-40 35.57 46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -39.33 -36.75 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.55 147.26 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -43.95 2.29 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -43.68 101.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.5 t -63.47 -38.6 91.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -97.84 121.95 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.837 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -90.32 136.7 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.61 67.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.551 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -160.16 165.21 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLY . 54.2 p -154.5 124.65 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 37.47 52.14 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.454 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.4 ttp85 -34.79 107.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.61 163.61 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -119.26 131.91 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 146.12 32.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.577 0.703 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -44.33 2.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -52.35 -37.61 56.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.98 131.09 41.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.83 -25.26 6.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.3 mmtp -49.38 145.11 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -68.75 -32.54 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 p-90 -84.34 -13.0 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CB ' ' HB2' ' A' ' 16' ' ' LYS . 39.0 t80 -89.22 143.03 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -135.15 115.73 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 -20.76 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -78.61 -42.48 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 31' ' ' LEU . 32.7 pt -66.27 -175.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -126.03 173.87 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -53.34 -55.36 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -56.02 -58.83 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.18 -46.28 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -48.5 -35.72 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.21 -50.33 34.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -28.36 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 28' ' ' ALA . 54.9 mt -65.98 -52.5 48.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.96 -8.52 49.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.637 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -96.75 -24.13 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -115.44 -75.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.0 m -63.04 -20.8 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.47 -160.34 35.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -159.92 179.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 38' ' ' VAL . 99.4 t -66.25 -7.79 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.4 m -134.86 35.71 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -111.81 142.93 43.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 104' ' ' LEU . 5.6 p90 -138.15 168.05 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 pp -165.32 155.14 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 55' ' ' LEU . 94.9 t -104.92 134.39 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.593 ' NH2' ' CE2' ' A' ' 56' ' ' TYR . 8.8 ttp85 -143.35 139.99 17.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -56.94 147.06 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.38 -51.46 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.42 -37.95 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 m -104.35 93.56 5.89 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 53.7 Cg_endo -69.72 113.67 3.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.94 7.31 23.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.45 172.35 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -125.96 176.41 7.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -160.51 129.39 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 41' ' ' PHE . 4.3 tp -86.86 152.31 22.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 44' ' ' ARG . 17.2 m-85 -129.64 107.58 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 63' ' ' ILE . 25.7 t80 -114.76 158.69 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -113.89 144.45 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -145.03 164.56 30.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -47.56 -44.6 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -67.14 -72.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -167.42 157.04 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 57' ' ' PHE . 58.1 mt -54.7 134.5 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.88 178.09 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 56' ' ' TYR . 42.5 mtm180 -151.51 117.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -93.82 160.6 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -120.66 105.08 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.4 mt -99.21 115.76 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.73 134.57 19.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 p -106.73 148.98 37.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.65 36.39 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -85.85 22.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.5 t30 59.73 42.16 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.9 172.29 12.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -115.29 154.28 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.5 mtp -122.01 129.24 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.691 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -140.13 105.43 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.83 47.96 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 34.2 80.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -132.81 177.27 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -131.08 145.73 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.52 ' CG ' HG12 ' A' ' 89' ' ' ILE . 68.5 m-85 -149.84 166.68 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -63.84 -47.79 79.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.1 p -174.61 160.02 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 89' ' ' ILE . 82.0 mt -39.29 -66.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.81 -52.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' ILE . 26.9 m-20 -62.48 -57.82 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 86' ' ' ILE . 89.9 mt -34.67 -32.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 88' ' ' ASP . 65.3 mt -72.23 -49.35 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' ASP . 4.8 m-20 -60.71 -29.47 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -74.68 -39.16 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.585 ' CB ' HD12 ' A' ' 104' ' ' LEU . 7.3 m-85 -74.19 -36.96 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -108.62 -5.38 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -130.1 115.21 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 58.3 mt-30 -44.2 108.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 78' ' ' MET . 12.9 tt -65.22 -25.73 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.705 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -117.8 -174.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.705 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.1 pt-20 -80.72 40.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.3 37.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -147.86 134.06 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 97' ' ' GLN . 9.3 m-85 -109.43 169.95 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.687 HD22 ' CD1' ' A' ' 41' ' ' PHE . 33.5 mt -102.4 97.82 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -68.79 -74.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.71 143.88 17.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -179.95 3.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.385 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -98.27 127.98 34.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.31 66.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.94 165.64 16.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 1.6 mp0 -98.76 147.25 25.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.99 129.58 42.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 113' ' ' GLN . 25.3 mp0 -126.85 161.7 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.3 m -119.39 79.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.28 146.04 9.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.1 4.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 m -39.9 101.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -40.75 108.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -155.58 162.5 40.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -42.33 -57.99 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.46 177.87 19.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -132.51 158.39 42.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -91.7 92.63 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.38 -175.02 39.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -83.48 92.62 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -127.81 99.31 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -124.1 176.42 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.94 153.78 47.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.63 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -44.0 -43.07 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.62 154.36 42.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . 98.82 -39.48 2.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.9 mmtm -36.68 135.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 18' ' ' TRP . 6.6 tt -65.88 -41.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 44.7 p-90 -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' N ' ' CE3' ' A' ' 18' ' ' TRP . 23.4 t80 -71.09 123.8 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.98 81.25 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.96 -17.79 31.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -71.03 -48.64 51.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' ALA . 42.8 pt -61.8 -176.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 m -125.45 176.91 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -62.01 -46.47 89.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -63.71 -56.04 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.61 -59.87 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -34.8 -53.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -49.01 -50.7 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.23 -37.57 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 35' ' ' VAL . 20.3 mt -57.19 -64.12 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.5 mt -49.68 -22.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 63' ' ' ILE . 87.6 mmm -88.22 -27.88 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -106.04 -75.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 31' ' ' LEU . 22.0 m -63.41 -38.22 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.96 158.3 24.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 40' ' ' SER . 53.2 mt-30 -146.06 -175.35 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' VAL . 2.5 t -45.63 146.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.2 m 63.39 29.4 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 11.2 t -119.94 144.44 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -145.27 170.16 16.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.6 pp -172.51 142.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 44' ' ' ARG . 90.0 t -95.17 159.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.537 ' N ' HG12 ' A' ' 43' ' ' VAL . 13.5 mtp-105 -150.51 127.92 5.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' SER . 53.9 Cg_endo -69.75 114.34 3.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' PRO . 19.8 t -37.66 137.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.12 -39.77 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -71.74 -72.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.705 HG22 ' H ' ' A' ' 51' ' ' GLY . 27.4 m -77.92 125.64 85.15 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 4.72 2.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.705 ' H ' HG22 ' A' ' 49' ' ' THR . . . -142.99 69.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 10.4 t70 -173.45 161.53 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 52' ' ' ASP . 13.9 m-85 -143.01 165.17 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.7 m -140.7 131.46 25.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -96.95 142.16 29.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 82.4 m-85 -126.76 118.46 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -115.22 139.24 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 21.6 tpt180 -104.73 125.26 50.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -130.6 158.72 39.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -27.93 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -78.59 -64.54 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 23.2 p30 -170.92 154.49 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 33' ' ' MET . 89.2 mt -60.56 122.82 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -72.01 -173.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -166.29 114.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -120.76 173.47 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -133.56 147.75 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.86 117.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.24 140.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.58 49.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.9 p -128.77 150.15 74.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.548 0.69 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.77 5.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -113.12 45.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m120 38.96 48.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -140.74 179.25 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -130.11 139.45 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.4 mtp -111.86 119.69 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.458 ' CE ' HD22 ' A' ' 55' ' ' LEU . 12.2 ttt -118.08 85.18 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.71 -65.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.1 34.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -138.01 173.27 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -125.63 133.1 52.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CD2' HG12 ' A' ' 89' ' ' ILE . 94.0 m-85 -134.4 138.86 45.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.14 -57.15 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.2 t -143.98 142.02 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 89' ' ' ILE . 97.7 mt -34.04 -58.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.57 -52.87 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -54.12 -51.54 63.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.2 mt -41.07 -35.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mp -70.25 -47.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.18 -28.82 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -76.0 -56.58 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 7.4 m-85 -49.99 -37.78 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -49.82 -30.43 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -97.99 -28.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.23 115.53 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -50.62 114.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.763 HG23 HG23 ' A' ' 99' ' ' VAL . 13.5 tt -67.82 -18.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -124.84 174.44 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.699 ' H ' HG12 ' A' ' 99' ' ' VAL . 14.2 pt-20 -35.08 -36.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -171.9 59.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -143.23 143.76 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.66 146.16 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.35 108.28 5.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -82.47 -67.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.97 137.78 12.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.543 HG21 HD23 ' A' ' 42' ' ' LEU . 55.6 t -82.65 129.84 60.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 146.18 59.45 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 110' ' ' MET . 0.0 OUTLIER -91.76 156.44 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.68 133.54 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 28.2 t70 -89.87 39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -106.73 39.57 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.4 t -46.83 125.76 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.69 145.39 4.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 104.77 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.2 t -81.05 99.05 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 p -60.01 -46.18 90.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -152.31 175.02 13.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -124.08 123.32 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.23 87.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -81.67 130.19 34.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -87.71 -45.39 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.45 135.63 4.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -149.96 155.57 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -46.37 135.35 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.2 115.83 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -96.24 149.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -41.79 3.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -49.43 -35.32 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -90.13 -12.87 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.41 25.47 24.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 42.4 mmtt -79.53 162.94 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -85.1 -24.75 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 50.9 p-90 -85.89 -33.29 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -64.8 150.73 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -151.02 105.9 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.74 -30.31 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.28 -53.69 53.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.7 pt -58.95 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -108.65 -177.29 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -65.75 -49.08 69.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.85 -50.98 66.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -44.93 -46.51 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -51.1 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -47.64 -37.68 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -80.33 -39.38 28.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 23' ' ' ILE . 12.5 mt -57.37 -35.1 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HG ' HD23 ' A' ' 42' ' ' LEU . 10.8 mt -86.23 -3.48 58.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -109.05 -16.77 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -111.89 -69.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 31' ' ' LEU . 33.8 m -79.73 -26.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.04 167.8 26.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.73 -178.5 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . 96.7 t -63.26 -10.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -117.65 28.22 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -128.88 143.29 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 55' ' ' LEU . 1.5 p90 -131.77 175.37 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.457 HD23 ' HG ' ' A' ' 32' ' ' LEU . 4.1 pp -163.49 157.82 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 t -121.39 143.69 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -140.99 147.45 47.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.05 14.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -56.79 112.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.83 -55.19 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -53.01 -49.99 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -114.27 120.63 37.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.569 0.7 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.26 19.05 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.58 -43.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 176.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 86' ' ' ILE . 80.5 m-85 -140.58 163.03 33.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m -145.25 121.85 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.933 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.3 tt -94.24 162.34 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.933 ' N ' HD23 ' A' ' 55' ' ' LEU . 61.8 m-85 -145.26 123.33 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 44.5 t80 -130.07 143.31 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 17.2 tpt180 -91.81 137.7 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 p -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -53.76 -56.92 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -65.09 -61.06 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -172.37 -179.85 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.94 134.96 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -95.95 -179.56 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -142.05 116.56 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.19 174.05 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -137.62 113.8 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -108.6 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.8 133.85 31.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.77 67.47 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.26 . . . . 0.0 112.406 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -128.06 144.77 52.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.45 30.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -87.72 21.48 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.94 42.36 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -139.5 -175.97 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.9 m-85 -131.32 140.83 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.0 mtp -115.3 111.66 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 93' ' ' TYR . 7.3 ttt -112.74 -41.37 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.36 65.98 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.07 12.18 42.35 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -119.92 176.39 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.76 118.36 20.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -116.82 172.66 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -72.97 -54.99 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.51 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 91.3 p -165.1 169.52 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 53' ' ' TYR . 73.6 mt -45.87 -57.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.29 -47.68 5.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.46 -56.66 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 93' ' ' TYR . 30.3 mt -39.8 -46.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.9 mt -58.63 -55.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.95 -43.77 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -63.52 -55.06 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.5 m-85 -52.38 -39.94 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -53.17 -25.82 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -92.23 -27.33 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 97' ' ' GLN . 25.6 mp0 -125.37 114.34 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.603 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 3.7 pt20 -34.65 117.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.539 HG23 HG23 ' A' ' 99' ' ' VAL . 3.3 tt -71.99 -24.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.52 178.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.676 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pp20? -39.54 -41.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.92 38.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -126.15 137.7 53.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.603 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 47.3 m-85 -110.88 154.68 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.98 102.15 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -77.65 -71.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -149.74 139.15 13.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.91 58.88 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 35' ' ' VAL . 50.6 t -70.52 120.17 77.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.01 58.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.51 176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 2.8 mp0 -112.13 73.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.91 96.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -110.27 144.9 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.5 m -126.1 30.79 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.83 -152.97 6.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.64 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 t -36.67 130.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.2 t -95.11 -177.25 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -166.27 173.3 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m 53.73 41.8 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.93 59.29 6.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -97.7 140.55 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -62.62 -32.35 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.58 138.61 14.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 113.59 13.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -86.59 138.23 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -107.37 117.47 34.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 4.3 t70 -151.63 141.36 14.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 53.5 Cg_endo -69.72 -30.4 22.52 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.76 -42.45 99.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -88.38 33.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.64 18.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 66.6 mmtt -64.61 162.48 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.33 -30.79 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.8 p-90 -87.31 -20.64 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CG ' ' N ' ' A' ' 20' ' ' HIS . 49.2 t80 -80.26 162.78 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 22.9 m80 -154.89 117.7 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.67 -34.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.47 -40.62 96.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 pt -73.96 -175.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -127.6 164.73 21.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' N ' ' NH2' ' A' ' 44' ' ' ARG . 36.4 tttm -51.52 -42.17 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.68 -46.9 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.44 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.4 -49.78 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -71.81 -40.79 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.7 mt -55.53 -49.92 71.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 4.4 mt -67.16 -17.4 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG2' HD11 ' A' ' 63' ' ' ILE . 47.0 mmm -95.56 -17.57 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -108.9 -59.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.5 m -86.46 -30.08 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.09 156.13 30.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' C ' ' HG2' ' A' ' 58' ' ' ARG . 40.3 mt-30 -131.87 -174.94 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.3 p -63.35 -2.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 82.5 m -135.0 46.05 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -148.65 140.13 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.702 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.5 p90 -137.77 179.09 6.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -163.37 155.89 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.25 142.45 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH2' ' N ' ' A' ' 25' ' ' LYS . 3.3 ptm85 -153.47 154.28 30.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.06 52.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 172.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.26 114.09 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m120 40.08 39.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 17.5 m -131.25 91.95 34.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 53.4 Cg_endo -69.79 88.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.5 -25.06 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 4.7 m-20 -101.27 177.54 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 51.1 m-85 -158.72 172.29 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -165.18 141.71 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 56' ' ' TYR . 7.6 tt -97.12 151.55 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.716 ' N ' HD23 ' A' ' 55' ' ' LEU . 7.7 m-85 -129.15 120.16 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -131.96 136.82 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HG2' ' C ' ' A' ' 37' ' ' GLN . 5.4 ttt180 -94.89 141.05 29.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 57.9 p -120.77 165.51 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' HG23 ' A' ' 38' ' ' VAL . 1.6 p-10 -52.25 -16.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.0 -75.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.03 163.96 38.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.415 HD11 ' HG2' ' A' ' 33' ' ' MET . 23.1 mt -67.86 135.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.95 -175.79 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -146.33 127.46 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -105.67 -177.01 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -142.87 122.26 13.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.68 98.87 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.7 m -85.4 140.8 36.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -129.52 151.42 77.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.74 14.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . 20.8 m120 -102.0 43.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ASN . 8.8 m-20 37.75 40.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -138.25 -178.42 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.81 147.95 50.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 mtp -112.53 126.85 55.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.2 ttt -133.27 97.44 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.58 52.83 6.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.75 33.04 66.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -128.73 157.4 41.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.86 137.58 54.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 89' ' ' ILE . 96.6 m-85 -145.04 137.45 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -39.69 -53.65 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' ILE . 14.0 t -158.24 156.31 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 89' ' ' ILE . 93.9 mt -36.28 -58.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.14 -46.6 1.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -58.61 -59.27 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.544 HG12 ' CD1' ' A' ' 83' ' ' TYR . 61.5 mt -35.84 -41.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.65 -68.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -44.06 -30.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -74.5 -45.59 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.494 ' CE2' HD12 ' A' ' 98' ' ' ILE . 5.7 m-85 -61.44 -43.03 99.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -40.94 -40.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -97.88 -18.23 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.16 116.89 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.53 119.21 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.744 HG23 HG23 ' A' ' 99' ' ' VAL . 3.8 tt -74.99 -27.94 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.744 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -118.46 178.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.6 pt-20 -37.26 -32.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -175.77 56.57 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -140.53 151.03 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -118.19 170.75 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.702 HD22 ' CD1' ' A' ' 41' ' ' PHE . 80.9 mt -106.63 99.71 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -68.23 -68.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -150.73 142.67 15.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.78 169.45 18.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG13 ' HD2' ' A' ' 109' ' ' PRO . 47.2 t -82.63 132.74 51.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.8 156.41 63.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.19 144.6 31.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -76.29 94.18 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.61 117.93 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -82.6 118.72 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.8 p -106.32 71.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 113.73 149.38 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.01 3.74 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t -52.45 -60.29 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.4 m -83.56 112.86 20.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -116.75 88.12 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -149.79 148.6 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -87.82 82.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLY . 16.1 m 34.34 48.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -105.11 129.55 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 93.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.13 125.49 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.898 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -134.73 164.5 27.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.5 33.59 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -73.54 149.44 88.56 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -40.03 5.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CE1' HD12 ' A' ' 86' ' ' ILE . 4.7 t-160 -56.65 -34.44 67.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -79.71 92.2 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.45 -25.64 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -48.63 155.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.17 -38.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -74.39 -16.95 60.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -82.29 141.77 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -140.13 108.5 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.32 -19.02 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.66 -45.91 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -66.51 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -115.35 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -67.15 -47.25 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -59.59 -47.78 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.52 -50.0 73.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -42.82 -41.18 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -62.65 -60.82 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -53.68 -39.12 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.7 mt -59.48 -60.24 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 42' ' ' LEU . 16.0 mt -63.69 -8.24 9.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.575 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -97.92 -24.41 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 p -112.12 -73.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 31' ' ' LEU . 21.8 m -65.11 -24.29 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.29 -176.52 41.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' CYS . 15.2 tt0 -157.11 164.94 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 48.4 t -43.13 -22.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' GLN . 8.8 m -112.25 45.48 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -138.42 135.48 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.3 p90 -128.8 164.92 21.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.1 pp -164.2 138.12 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.11 150.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -156.11 139.57 11.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.26 15.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 t -53.56 119.67 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -66.32 -64.13 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.43 121.05 56.26 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 109.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.74 -41.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -62.79 171.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -143.98 167.03 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -158.99 133.64 8.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 41' ' ' PHE . 10.4 tp -86.78 152.5 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 14.7 m-85 -131.72 102.94 6.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 31.8 t80 -114.59 146.22 41.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 11.7 tpt180 -94.72 137.97 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HA ' HG13 ' A' ' 38' ' ' VAL . 69.8 p -135.62 155.44 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -43.09 -36.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -76.8 -72.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -165.8 152.22 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 33' ' ' MET . 56.2 mt -46.76 122.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.06 179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -148.48 128.76 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -109.32 142.76 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.4 130.89 42.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.01 102.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.88 134.79 24.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.79 51.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.268 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 p -109.12 148.49 38.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.1 20.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.36 38.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 34.7 t30 48.54 40.27 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.48 -175.21 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -131.95 154.02 49.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.4 mtp -116.06 123.36 47.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.4 ttt -134.38 90.56 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.19 49.33 4.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.93 28.4 66.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -125.69 158.16 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -120.01 122.26 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CG ' HG12 ' A' ' 89' ' ' ILE . 62.6 m-85 -123.11 162.46 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 4.8 p-10 -66.38 -53.76 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.1 p -155.69 151.03 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 90' ' ' ILE . 26.1 mt -39.02 -61.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 90' ' ' ILE . . . -37.63 -42.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.75 -50.8 65.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 86' ' ' ILE . 86.5 mt -42.81 -29.03 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 86' ' ' ILE . 5.1 mp -77.09 -45.97 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.31 -33.15 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -75.27 -36.46 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.521 ' CB ' HD12 ' A' ' 104' ' ' LEU . 3.7 m-85 -73.89 -27.7 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -57.11 -13.67 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.1 -17.85 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -112.6 145.65 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -70.54 103.85 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.77 HG23 HG23 ' A' ' 99' ' ' VAL . 7.9 tt -66.25 -23.54 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.77 HG23 HG23 ' A' ' 98' ' ' ILE . 2.0 t -121.57 173.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.4 pt-20 -36.42 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -174.62 56.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -139.73 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.13 151.58 47.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 93' ' ' TYR . 96.8 mt -83.57 107.21 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -77.68 -70.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -154.47 142.81 14.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.46 12.61 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.44 127.88 74.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 146.42 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 mtp -68.77 166.83 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -114.89 69.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 154.24 27.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 45.91 35.03 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.7 m -115.93 102.98 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.3 157.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 118' ' ' SER . 53.8 Cg_endo -69.77 -16.48 37.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.6 m -39.69 96.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PRO . 54.5 m -75.25 162.63 28.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -87.28 95.86 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -89.72 176.11 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -111.27 -56.49 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -101.86 82.84 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.63 173.1 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -160.64 154.75 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -60.27 151.96 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -122.46 175.58 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.68 153.69 47.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.43 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -44.81 -43.19 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -80.06 133.1 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.52 -42.3 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 55.0 mmtt -39.83 139.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -66.79 -35.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 36.9 p-90 -79.31 -16.35 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.68 147.14 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -144.24 105.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.04 -9.06 6.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -28.46 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.301 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 31' ' ' LEU . 18.6 pt -79.5 173.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -119.34 155.86 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.23 -65.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -45.16 -57.17 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' ASN . 3.2 mm-40 -49.8 -55.99 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.62 -51.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -55.77 -46.22 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 t30 -73.7 -21.94 60.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.6 mt -70.64 -58.49 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 42' ' ' LEU . 4.4 mt -53.34 -26.78 20.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 63' ' ' ILE . 90.2 mmm -78.83 -32.53 46.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 p -104.11 -70.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 31' ' ' LEU . 26.5 m -64.24 -26.22 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.02 171.5 16.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -152.72 175.05 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.3 136.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.5 m 66.09 46.42 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 m -136.54 139.18 42.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 11.1 p90 -129.13 173.98 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.8 pp -163.02 140.54 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 86' ' ' ILE . 89.1 t -98.56 134.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -150.26 139.65 13.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.62 28.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 t -50.73 165.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -110.41 -50.13 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.02 -53.86 52.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.4 m -104.86 115.74 62.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.569 0.7 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.374 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.71 13.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.03 163.64 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -131.9 156.68 45.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -147.24 124.61 11.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 55' ' ' LEU . 10.0 tt -95.9 144.01 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 28.5 m-85 -117.81 157.57 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -148.62 136.55 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 13.8 ttt85 -107.98 125.49 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 p -121.93 151.81 40.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.87 -61.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -166.26 -178.68 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.764 HD11 ' SD ' ' A' ' 33' ' ' MET . 61.2 mt -95.69 139.53 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -111.11 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 18.6 ttp180 -154.06 125.35 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.25 -179.13 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 148.87 52.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.13 110.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.08 134.77 21.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.05 62.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -122.02 149.29 53.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.86 37.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -87.46 42.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 m120 38.07 53.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -147.7 -178.48 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.4 mtp -107.64 117.83 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 72.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.75 -71.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.42 17.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -122.75 171.34 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -115.54 138.97 50.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.2 162.53 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -68.23 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 p -151.08 154.55 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 43' ' ' VAL . 80.3 mt -40.33 -47.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.44 -45.09 8.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -67.87 -52.6 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 88' ' ' ASP . 73.5 mt -39.79 -30.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.474 HG12 ' CZ ' ' A' ' 41' ' ' PHE . 52.9 mt -71.13 -52.82 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -65.82 -40.91 92.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -57.37 -35.91 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.42 -37.23 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -41.05 -39.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -91.06 -26.5 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.42 114.26 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 2.9 pt20 -45.81 104.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 99' ' ' VAL . 8.8 tt -58.11 -28.51 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.706 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -113.46 173.24 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.616 ' H ' HG12 ' A' ' 99' ' ' VAL . 7.3 pt-20 -34.92 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.77 49.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -137.92 131.88 31.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 90.0 m-85 -109.3 139.0 44.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.16 107.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -79.21 -61.71 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -152.05 140.14 13.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.39 8.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.483 HG13 HG23 ' A' ' 35' ' ' VAL . 54.0 t -90.94 121.49 67.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -177.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.468 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -113.72 36.53 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -170.59 118.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -87.02 115.9 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.2 t -39.87 109.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.9 -158.53 29.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.84 36.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.9 t -51.78 122.99 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 p -105.69 164.61 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -110.72 97.98 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -159.48 123.86 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.36 -81.76 1.26 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 p -160.09 168.41 25.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.4 p -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.97 116.37 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.93 121.66 32.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.57 160.88 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.33 117.62 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -106.39 152.23 40.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.13 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -51.73 -38.7 56.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.0 pt-20 -82.65 -12.18 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.31 59.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 26.0 mmtm -48.39 132.65 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.84 -25.57 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.548 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 28.8 p-90 -86.26 -18.19 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 81.3 t80 -82.23 149.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -139.05 130.7 27.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.47 -32.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.431 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -44.79 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.622 HD11 HH12 ' A' ' 44' ' ' ARG . 29.1 pt -64.59 -175.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -123.37 171.26 9.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -58.97 -54.49 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.9 -50.13 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.7 mm-40 -54.03 -58.87 5.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -33.72 -45.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.29 -51.24 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 42.3 t30 -64.97 -44.35 89.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 mt -50.3 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 12.0 mt -49.29 -20.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 35' ' ' VAL . 65.6 p -104.36 -75.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 36' ' ' GLY . 33.2 m -62.41 -42.57 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -84.29 163.53 39.37 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' H ' ' CB ' ' A' ' 40' ' ' SER . 2.8 tp-100 -123.8 175.28 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 81.0 t -52.7 -15.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -117.85 37.82 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 17.5 m -130.35 134.98 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 104' ' ' LEU . 11.8 p90 -132.21 176.87 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.0 pp -167.61 149.72 5.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 86' ' ' ILE . 96.5 t -103.09 128.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.622 HH12 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.55 140.14 34.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 53.3 Cg_endo -69.78 144.27 53.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -90.3 141.26 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' ASN . 65.0 m-20 -89.26 170.45 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ASP . 17.8 m-20 36.19 44.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.54 149.18 33.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.95 35.64 18.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -85.73 164.64 17.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 54.2 m-85 -143.15 176.25 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -157.21 138.73 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -95.69 146.01 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 76.1 m-85 -124.33 129.67 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 63' ' ' ILE . 42.5 t80 -146.12 148.14 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 5.9 tpt180 -99.2 146.8 25.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HA ' HG13 ' A' ' 38' ' ' VAL . 63.9 p -142.38 171.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -58.82 -42.09 88.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -174.19 148.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 33' ' ' MET . 88.4 mt -42.78 129.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -94.87 165.09 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -137.88 122.39 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.07 159.92 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -112.85 129.51 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -118.25 110.68 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.3 t -101.47 134.35 20.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.95 67.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.396 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -121.81 147.27 48.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.9 17.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.58 25.87 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 56.68 42.21 27.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -137.39 -175.55 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -133.98 130.49 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.2 mtp -94.51 117.33 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -55.7 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.23 55.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.34 21.55 54.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.44 174.5 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -132.26 118.86 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 89' ' ' ILE . 93.3 m-85 -119.57 137.44 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -39.3 -57.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.3 t -148.65 150.54 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.56 ' HA ' HD12 ' A' ' 89' ' ' ILE . 95.4 mt -35.04 -55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.21 -55.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -53.11 -50.09 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.5 mt -41.99 -39.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.3 mp -66.53 -64.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -45.83 -26.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 98' ' ' ILE . 3.3 m-85 -57.9 -27.63 63.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 14.2 mtp-105 -61.38 -17.32 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -111.81 -12.29 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 4.1 pt20 -38.74 108.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.614 HG23 HG23 ' A' ' 99' ' ' VAL . 8.3 tt -69.74 -20.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -122.29 -174.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.732 ' H ' HG12 ' A' ' 99' ' ' VAL . 6.3 pt-20 -81.21 39.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 137.42 38.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 22.4 m-85 -151.58 150.16 29.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 97' ' ' GLN . 10.7 m-85 -125.82 156.39 39.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.2 mt -78.51 102.59 7.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -72.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -148.61 138.0 12.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.736 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.77 159.77 52.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.544 HG13 ' HD2' ' A' ' 109' ' ' PRO . 84.1 t -72.02 135.74 82.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.76 153.96 68.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.258 . . . . 0.0 112.302 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -101.94 152.23 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -71.24 82.12 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -64.05 129.86 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.1 100.45 12.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -156.28 161.83 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.93 163.48 39.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 139.77 41.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -61.03 -61.88 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m -159.15 161.07 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -72.2 -66.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 t -94.17 80.85 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.61 178.61 16.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -127.16 -50.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -42.32 130.79 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 150.98 17.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -88.53 123.22 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.316 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 15.9 mp0 -38.6 141.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.32 163.38 16.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.68 142.53 25.24 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -45.59 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -61.81 -19.8 62.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -96.4 24.56 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.14 17.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 59.6 mmtt -60.52 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 18' ' ' TRP . 18.6 tt -53.97 -43.39 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 17' ' ' ILE . 28.4 p-90 -76.84 -14.78 59.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -85.05 146.05 27.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -144.25 111.95 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.53 -13.51 2.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -82.73 -29.72 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 pt -78.62 -175.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -117.71 166.84 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -58.28 -60.28 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 15.8 pm0 -54.1 -31.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' N ' ' HG2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.71 -54.46 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.46 -38.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.31 -41.52 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -77.98 -43.57 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 35' ' ' VAL . 42.6 mt -50.58 -54.64 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.82 -26.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -88.17 -15.26 36.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -113.02 -74.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.3 m -69.92 -28.12 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.36 173.68 24.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -155.45 -176.42 5.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' N ' ' HE ' ' A' ' 58' ' ' ARG . 2.9 t -45.93 144.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 m 62.74 42.51 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p -126.72 144.12 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HB2' HD21 ' A' ' 55' ' ' LEU . 2.7 p90 -139.23 161.62 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 44' ' ' ARG . 3.6 pp -158.62 149.92 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -107.43 149.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 1.9 mtp-105 -148.43 147.25 24.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.3 32.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -52.28 158.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.9 103.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 41.59 52.79 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 91.5 m -148.36 104.98 3.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 54.0 Cg_endo -69.71 126.15 13.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.91 -40.03 2.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.89 162.29 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -154.53 159.37 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -137.25 118.46 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.4 tt -90.42 151.97 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.702 ' N ' HD23 ' A' ' 55' ' ' LEU . 66.8 m-85 -133.58 120.09 20.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 63' ' ' ILE . 36.8 t80 -115.2 150.1 36.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 38' ' ' VAL . 18.3 ttt85 -116.72 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.1 p -134.74 162.06 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -49.69 -26.0 3.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.34 -69.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -166.1 157.63 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.7 mt -69.65 127.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.65 159.54 16.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 29.0 ttp180 -130.34 144.64 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -117.41 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -138.24 130.68 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -119.78 106.44 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 98.1 m -93.81 139.78 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.93 51.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.459 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 38.1 p -136.52 149.54 67.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.88 36.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' ASN . 39.3 t30 -87.79 46.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' ASN . 12.8 m-20 34.13 54.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -150.52 -175.0 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -132.55 144.15 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' A' ' 71' ' ' THR . 36.8 mtp -106.65 119.69 39.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.08 107.01 6.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 42.62 17.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.81 38.02 94.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -140.43 179.74 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 14.8 m-85 -128.2 144.85 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 17.6 m-85 -142.51 146.42 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -56.34 -42.39 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.2 p -169.81 152.88 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.1 mt -41.42 -48.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.66 40.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -43.05 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 86' ' ' ILE . 42.0 mt -47.27 -38.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.6 mp -64.59 -64.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.58 -35.92 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -68.02 -51.1 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.23 -33.46 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -50.49 -26.7 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -110.8 -15.9 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -117.24 120.18 37.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 83.2 mt-30 -55.28 114.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.52 HG23 ' CG2' ' A' ' 99' ' ' VAL . 15.5 tt -69.97 -24.74 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -113.49 -174.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.736 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.0 pt-20 -72.95 2.79 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . 167.77 49.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 60.6 m-85 -154.78 130.83 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 12.6 m-85 -102.17 173.0 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD22 ' CD1' ' A' ' 41' ' ' PHE . 66.3 mt -96.84 87.91 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -58.68 -65.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.91 140.46 8.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.23 4.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.25 129.62 44.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.03 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 mtm -91.71 -177.12 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 112' ' ' ASP . 33.1 mm-40 -125.74 79.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' GLN . 4.2 t70 -36.78 109.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.792 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.69 141.49 37.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 t -106.79 -177.67 3.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 149.92 166.98 13.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.4 t 51.07 43.11 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.9 t -149.24 134.41 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.551 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 p -96.59 93.43 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -111.75 87.67 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.52 121.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 145.84 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -137.38 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.94 122.16 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -125.39 130.14 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -143.28 114.69 7.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.58 30.91 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' OE1' ' A' ' 14' ' ' GLU . 5.4 m-20 -94.34 149.85 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 Cg_endo -69.8 -42.05 3.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -45.86 -41.22 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 14' ' ' GLU . 8.7 mp0 -83.33 25.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' PRO . . . -168.79 41.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 17.2 mmmt -88.44 162.92 16.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.42 -29.64 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.478 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 46.2 p-90 -87.74 -23.23 24.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -82.37 134.4 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -140.86 105.5 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.77 -17.28 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -74.9 -46.27 37.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.8 -177.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 m -119.79 175.92 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -62.58 -55.54 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.41 -32.35 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.02 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.21 -33.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.48 -56.87 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -61.92 -35.95 79.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.0 mt -57.23 -62.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 5.9 mt -57.95 -18.28 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 63' ' ' ILE . 76.9 mmm -86.65 -27.92 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.9 p -110.82 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.1 m -60.2 -27.0 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.69 139.05 14.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -98.78 -177.46 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 38' ' ' VAL . 21.4 t -62.82 -7.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.41 33.36 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -128.58 144.0 51.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 104' ' ' LEU . 9.1 p90 -139.84 -177.09 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD23 HG21 ' A' ' 108' ' ' VAL . 4.5 pp -170.05 159.23 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 55' ' ' LEU . 83.9 t -114.62 137.75 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -132.39 151.06 77.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.546 0.689 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.74 19.96 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . 4.2 m -62.07 109.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.34 -67.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -43.64 -55.22 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -108.99 122.57 39.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.693 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.72 43.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -47.53 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 1.7 m-20 -61.58 172.22 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -138.29 174.8 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -146.07 141.21 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.689 HD12 HG22 ' A' ' 43' ' ' VAL . 4.4 tp -110.68 148.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 61.0 m-85 -135.09 123.64 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -126.7 143.63 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -93.76 127.68 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.5 p -126.03 151.15 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -46.97 -31.25 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.1 -72.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.7 142.52 7.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 33' ' ' MET . 80.0 mt -47.57 126.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -90.29 -176.59 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -157.23 116.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -103.22 174.17 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -133.09 125.62 29.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.8 mt -112.6 108.99 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -98.12 142.29 24.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 156.62 62.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.9 p -129.07 151.51 77.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.1 m120 -102.48 44.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p30 37.04 49.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -142.32 -179.4 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.34 132.64 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 mtp -95.09 128.84 42.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 97.95 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.11 -66.05 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.01 25.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 178.19 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.6 146.28 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -137.7 138.87 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.43 -42.95 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -175.02 168.17 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.66 -63.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.55 -36.52 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.93 -45.39 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 ' CE2' ' A' ' 93' ' ' TYR . 57.5 mt -45.43 -33.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -51.42 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -66.68 -24.05 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -79.19 -34.58 42.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.511 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.6 m-85 -79.2 -31.73 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -49.48 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -105.48 -12.02 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 6.2 mm-40 -126.44 121.38 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 100' ' ' GLU . 9.4 pt20 -58.01 115.17 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 99' ' ' VAL . 15.2 tt -68.04 -15.59 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.756 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -128.17 171.26 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 99' ' ' VAL . 15.1 pt-20 -36.74 -39.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -165.52 59.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.422 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 39.0 m-85 -148.71 131.22 15.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 98.5 m-85 -110.83 148.42 32.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 27.0 mt -76.66 113.02 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -80.0 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -154.5 141.26 13.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.86 149.95 66.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 35' ' ' VAL . 86.7 t -57.78 124.19 67.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.54 7.95 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -177.11 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 2.5 mp0 -117.03 47.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' ASP . 26.7 t70 38.37 43.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.77 137.02 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.6 t -155.2 154.14 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.53 -172.3 48.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -40.38 5.33 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t 49.71 41.33 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.7 t -144.97 112.37 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 71.6 mmtt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 tt -81.03 -25.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 30.5 p-90 -85.97 -19.23 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -79.57 147.33 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -141.82 126.94 18.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.23 -37.84 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -58.65 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 31' ' ' LEU . 11.3 pt -73.85 -175.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -123.27 -178.43 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.08 -47.95 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -47.99 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.23 -50.26 71.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -41.64 -42.79 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -59.31 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -60.97 -21.35 63.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HG22 ' A' ' 35' ' ' VAL . 21.6 mt -72.27 -55.76 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.686 HD23 HG21 ' A' ' 108' ' ' VAL . 19.8 mt -57.98 -12.97 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.4 mtp -96.35 -26.61 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.6 p -105.88 -69.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.3 m -65.93 -24.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.27 -172.71 18.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.92 174.2 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' VAL . 4.7 t -38.49 140.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 38' ' ' VAL . 1.8 m 69.49 34.13 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 m -132.32 134.89 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -130.66 174.99 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.3 pp -165.21 145.6 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 55' ' ' LEU . 90.6 t -106.15 138.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 56' ' ' TYR . 3.6 ptm85 -140.43 143.59 33.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.38 7.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.752 2.302 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' CD ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -144.2 166.27 25.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 p -149.47 129.89 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 43' ' ' VAL . 2.8 tp -93.55 138.57 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 15.5 m-85 -121.27 105.58 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -101.95 149.97 23.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -117.35 125.28 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -127.48 149.21 50.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -33.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -72.57 -65.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -166.14 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.31 130.76 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.96 -175.23 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -159.51 115.15 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -96.15 166.94 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.03 126.59 51.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.76 95.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.97 141.54 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' CD ' ' OD1' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.72 146.66 61.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -114.6 150.0 43.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.44 4.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -111.64 38.61 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 44.37 51.27 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -148.32 177.95 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -122.98 147.42 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.86 132.27 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.6 ttt -139.31 111.66 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.54 43.71 95.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.34 28.36 68.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -115.76 175.11 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -148.37 110.3 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CG ' HG12 ' A' ' 89' ' ' ILE . 69.7 m-85 -116.71 162.74 17.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.22 -46.29 88.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -163.17 167.66 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' GLY . 10.1 mt -49.7 -64.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -35.81 -40.95 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ILE . 3.0 m-20 -67.26 -56.45 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.484 HG12 ' CG ' ' A' ' 83' ' ' TYR . 60.5 mt -35.41 -42.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.5 mt -68.32 -60.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -46.13 -31.0 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -75.98 -49.71 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.7 m-85 -56.13 -30.7 62.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.03 -12.25 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.16 -30.44 6.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -120.38 112.96 19.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.669 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 4.9 pt20 -40.85 131.59 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 99' ' ' VAL . 7.4 tt -85.01 -17.93 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.5 t -121.22 175.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.639 ' H ' HG12 ' A' ' 99' ' ' VAL . 12.4 pt-20 -50.0 -27.45 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.91 54.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 62.6 m-85 -146.8 147.46 30.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.669 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 52.7 m-85 -127.77 151.94 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.8 mt -79.36 109.79 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -86.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.99 139.03 12.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.3 Cg_endo -69.77 175.91 7.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.686 HG21 HD23 ' A' ' 32' ' ' LEU . 78.1 t -89.22 133.69 34.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.78 145.89 58.41 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 31.6 mmtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.64 -33.56 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 24.2 p-90 -77.66 -19.76 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 58.2 t80 -82.12 154.9 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -151.63 111.64 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -15.31 3.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -54.41 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 31' ' ' LEU . 18.4 pt -57.72 177.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -110.3 176.84 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -65.02 -29.02 69.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.36 -43.38 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -60.13 -40.12 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.92 -34.51 63.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.39 -53.18 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.9 m-20 -66.67 -41.5 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.657 ' CD1' HD13 ' A' ' 23' ' ' ILE . 19.3 mt -49.98 -58.76 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 17.0 mt -63.51 -12.54 33.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.694 ' HG2' HD11 ' A' ' 63' ' ' ILE . 60.8 mmm -104.72 -10.6 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ASN . 19.6 p -114.52 -63.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' LEU . 31.3 m -85.4 -23.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.9 21.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -116.18 -175.47 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 38' ' ' VAL . 88.0 t -65.07 -5.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -128.68 40.87 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -134.29 150.83 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.883 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.6 p90 -148.48 -179.33 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 171.3 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 55' ' ' LEU . 60.8 t -128.87 138.9 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 1.4 mtm105 -142.99 148.63 46.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 121.55 8.25 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.84 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -128.9 162.09 28.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -140.49 152.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.655 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -121.53 141.39 51.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 29.9 m-85 -125.85 118.76 26.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -123.58 149.18 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -107.62 122.23 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 p -117.23 179.65 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -67.88 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -83.27 -68.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -168.51 150.72 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.8 mt -51.99 125.34 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -92.93 -176.98 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -156.76 119.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -100.94 171.33 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -127.73 125.6 40.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.3 mt -109.51 122.66 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.9 t -115.25 134.12 22.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 156.59 62.82 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.328 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 77' ' ' MET . 74.7 p -132.93 151.8 78.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -105.02 41.28 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t30 40.6 45.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -141.34 -175.65 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.7 124.83 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.443 ' HG3' HG21 ' A' ' 71' ' ' THR . 38.7 mtp -89.11 119.82 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -64.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.74 -48.5 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.65 41.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -156.59 175.22 14.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -123.88 96.91 5.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -91.72 134.76 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.4 -40.24 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.3 p -164.33 168.08 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 90' ' ' ILE . 53.7 mt -54.89 -43.93 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.79 14.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -39.38 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 86' ' ' ILE . 83.3 mt -53.38 -32.24 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.5 mp -71.7 -69.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -51.22 -24.74 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -75.09 -54.64 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.42 -32.49 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -39.67 -35.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -29.78 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.22 121.57 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.6 pt20 -55.7 116.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 99' ' ' VAL . 9.3 tt -72.3 -18.82 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.4 t -121.11 176.58 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.644 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.3 pt-20 -56.14 -13.99 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -179.91 51.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 64.3 m-85 -154.96 131.3 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.516 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 96.6 m-85 -106.9 168.06 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.883 HD22 ' CD1' ' A' ' 41' ' ' PHE . 96.0 mt -91.65 96.34 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -67.42 -65.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -156.72 143.96 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.74 175.11 8.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.286 . . . . 0.0 112.382 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.33 126.72 59.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 173.32 11.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mtm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.0 mmtt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.4 tt -93.83 -28.39 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 15.1 p-90 -83.99 -37.4 22.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 57.6 t80 -61.93 120.36 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.56 92.38 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.19 -7.9 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -86.67 -39.5 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 24' ' ' SER . 1.2 pp -84.9 176.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 23' ' ' ILE . 71.7 m -120.57 150.82 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 44' ' ' ARG . 45.3 tttm -33.29 -59.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -41.28 -49.51 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 3.5 mp0 -65.59 -57.02 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -34.94 -35.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 10.4 m-85 -66.1 -50.11 65.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 34' ' ' THR . 2.8 m-20 -69.22 -20.91 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 28' ' ' ALA . 28.8 mt -71.42 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.54 -12.12 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -100.29 -28.12 13.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 30' ' ' ASN . 60.6 p -99.22 -72.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 36' ' ' GLY . 31.6 m -72.39 -47.46 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -80.39 169.89 52.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 38' ' ' VAL . 8.1 tt0 -156.49 174.97 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 37' ' ' GLN . 4.7 t -34.65 142.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 m 68.73 35.2 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.5 p -124.37 143.08 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -139.04 161.0 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -164.98 151.19 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.657 HG22 HD12 ' A' ' 55' ' ' LEU . 11.4 t -119.11 148.99 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.7 ptm180 -151.01 142.75 15.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 127.35 14.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -149.09 149.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -140.51 123.03 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD12 HG22 ' A' ' 43' ' ' VAL . 12.6 tp -76.43 153.57 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.401 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 45.3 m-85 -134.02 95.81 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.63 143.65 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' ' CG1' ' A' ' 63' ' ' ILE . 9.4 tpt180 -110.18 131.85 54.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.4 p -133.99 165.24 25.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -48.75 -40.46 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.31 -62.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -174.72 172.54 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG1' ' HD2' ' A' ' 58' ' ' ARG . 95.5 mt -78.24 123.45 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -91.88 -179.45 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -150.36 126.82 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.495 ' CD1' HD23 ' A' ' 55' ' ' LEU . 8.4 m-85 -104.06 176.46 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -127.21 132.37 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 77' ' ' MET . 62.2 mt -130.0 115.39 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.55 133.73 21.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.56 51.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.6 p -123.26 143.74 41.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.567 0.699 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.87 22.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.6 16.32 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 67.48 33.73 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -140.49 173.51 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.5 121.01 31.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' ILE . 59.5 mtp -78.79 141.78 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.41 19.19 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.32 -3.76 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.9 -15.48 0.91 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -111.21 151.18 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.99 140.57 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' ASN . 51.9 m-85 -133.41 138.43 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' TYR . 22.0 t30 -34.49 -57.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 m -169.44 164.19 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.3 mt -45.14 -51.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.13 -40.71 52.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.17 -53.36 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 83' ' ' TYR . 23.7 mt -40.33 -34.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.7 mt -74.65 -46.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.59 -38.0 88.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -67.41 -33.8 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 3.1 m-85 -74.19 -28.51 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -54.13 -27.0 30.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 -15.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -125.6 120.57 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 88.7 mt-30 -50.31 114.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.571 HG23 HG23 ' A' ' 99' ' ' VAL . 9.6 tt -67.71 -24.58 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.02 -176.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.739 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.2 pt-20 -52.78 -20.43 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.67 52.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -142.81 142.45 31.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 48.2 m-85 -109.42 168.34 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 41' ' ' PHE . 90.8 mt -93.65 99.73 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -158.74 143.87 11.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.06 10.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' A' ' 109' ' ' PRO . 70.3 t -83.79 133.76 45.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.459 ' HD2' HG13 ' A' ' 108' ' ' VAL . 54.0 Cg_endo -69.73 161.31 46.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mtm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 tt -82.57 -36.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.526 ' CZ3' HG21 ' A' ' 86' ' ' ILE . 36.5 p-90 -74.28 -15.54 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -81.69 133.63 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.416 ' HB2' HD13 ' A' ' 42' ' ' LEU . 21.6 m-70 -134.79 91.15 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.94 -21.34 8.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.5 -41.5 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 pt -62.18 -178.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -110.24 -175.87 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -71.72 -37.03 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.61 -51.97 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.93 -43.46 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -41.44 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.54 -41.56 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 34' ' ' THR . 55.8 t30 -74.81 -31.27 61.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 35' ' ' VAL . 81.5 mt -66.23 -59.74 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.676 ' HG ' HD23 ' A' ' 42' ' ' LEU . 15.9 mt -60.71 -15.97 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.9 -19.92 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 30' ' ' ASN . 80.7 p -113.55 -74.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.19 -20.9 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.84 -172.81 34.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -155.29 179.95 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.3 t -64.25 -6.17 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.55 26.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.72 150.68 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' HD22 ' A' ' 104' ' ' LEU . 28.8 p90 -139.71 173.02 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.829 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -164.55 141.35 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 42' ' ' LEU . 61.4 t -105.44 137.38 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -135.73 143.35 44.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 128.42 16.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . 2.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 31.5 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.62 172.19 13.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -160.78 144.88 13.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.2 tt -101.51 145.03 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.463 ' N ' HD23 ' A' ' 55' ' ' LEU . 4.6 m-85 -123.7 120.94 34.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -125.0 142.32 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' HE1' ' A' ' 33' ' ' MET . 7.2 tpt180 -97.8 131.18 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.7 p -132.72 165.83 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -50.65 -42.63 56.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.98 -68.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -166.43 158.79 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' A' ' 33' ' ' MET . 67.9 mt -63.24 117.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -75.22 178.37 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -157.0 116.12 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.36 176.82 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -138.17 127.15 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.53 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.3 m -91.3 142.85 27.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.57 68.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 77' ' ' MET . 28.4 p -126.61 147.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.96 32.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 47.75 38.2 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.75 175.74 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -119.64 140.35 50.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG3' HG21 ' A' ' 71' ' ' THR . 40.8 mtp -106.68 120.27 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.3 68.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.54 -62.05 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.47 35.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -146.36 146.73 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 132.64 48.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 89' ' ' ILE . 66.2 m-85 -130.06 152.2 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.48 -48.16 73.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' ILE . 71.0 mt -38.4 -46.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.47 -48.09 42.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.32 -53.87 31.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.2 mt -41.23 -43.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.1 mp -66.7 -58.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -46.74 -37.29 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -77.97 -37.66 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 104' ' ' LEU . 3.1 m-30 -67.78 -26.05 65.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 11.2 mtp-105 -49.29 -26.3 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 96' ' ' GLU . 10.6 ptmt -106.77 -27.21 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 95' ' ' LYS . 9.0 mp0 -100.67 115.62 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 92.5 mt-30 -50.9 114.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.693 HG23 HG23 ' A' ' 99' ' ' VAL . 13.2 tt -69.02 -21.54 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.734 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -124.21 -174.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.734 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -81.4 39.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.55 36.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.415 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 74.2 m-85 -150.43 141.44 22.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.397 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 13.0 m-85 -114.15 172.43 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 41' ' ' PHE . 41.6 mt -98.18 100.59 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -75.23 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.75 143.94 11.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.483 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.7 -177.28 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -97.29 130.79 28.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 171.62 14.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.301 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 tt -84.35 -28.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.575 ' CH2' HG21 ' A' ' 86' ' ' ILE . 35.9 p-90 -88.89 -15.16 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -87.09 147.69 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -136.7 127.46 27.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.96 -28.82 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -75.3 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.5 pt -55.24 -175.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 m -123.84 -179.47 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -58.65 -52.22 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -53.45 -59.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -40.44 -52.46 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.45 -49.45 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -54.27 -59.42 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -53.59 -43.19 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.1 mt -56.54 -62.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.82 -12.63 4.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.44 -18.41 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 -74.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.99 -34.86 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.14 167.62 34.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' H ' ' CB ' ' A' ' 40' ' ' SER . 4.8 tt0 -131.56 -177.63 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 17.0 t -61.56 -8.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 18.9 p -125.28 35.17 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.421 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 86.4 p -125.74 147.31 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CD2' HD22 ' A' ' 104' ' ' LEU . 14.0 p90 -136.5 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -173.58 144.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 55' ' ' LEU . 61.6 t -104.07 160.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 43' ' ' VAL . 14.8 ptt85 -165.03 143.02 5.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 114.96 3.88 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -128.02 169.37 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 p -159.72 130.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 43' ' ' VAL . 5.3 tp -84.39 148.5 26.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.72 112.5 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 63' ' ' ILE . 52.8 t80 -119.63 152.81 36.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 19.6 tpt180 -99.9 134.8 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.6 p -128.85 154.79 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -41.77 -37.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.12 -75.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -158.86 153.48 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 57' ' ' PHE . 23.7 mt -53.04 134.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -90.05 -176.97 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -151.79 114.4 4.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -100.92 173.42 6.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -131.04 130.91 43.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.88 101.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.0 m -95.23 141.8 23.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 149.82 67.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.41 HG21 ' HG3' ' A' ' 77' ' ' MET . 67.5 p -127.94 148.71 68.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 0.03 6.22 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -105.83 38.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 42.19 46.75 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 83' ' ' TYR . 39.8 mt-30 -146.04 176.62 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.73 140.0 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 71' ' ' THR . 29.4 mtp -106.46 124.85 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.8 ttt -122.38 93.24 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.74 -62.94 2.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.49 28.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -126.02 176.03 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -131.02 120.12 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 84.3 m-85 -119.93 159.22 25.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.14 -50.44 70.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m -160.77 167.27 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.575 HG21 ' CH2' ' A' ' 18' ' ' TRP . 74.7 mt -48.2 -60.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.55 -44.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ILE . 10.5 t70 -62.73 -57.8 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 86' ' ' ILE . 72.0 mt -35.0 -45.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.2 mp -58.98 -59.82 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -53.64 -55.91 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -48.15 -31.29 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.402 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.7 m-85 -80.64 -39.28 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -46.83 -28.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -17.69 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.31 116.92 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.3 pt20 -48.48 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 99' ' ' VAL . 11.9 tt -55.79 -23.18 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -116.72 173.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.618 ' H ' HG12 ' A' ' 99' ' ' VAL . 8.4 pt-20 -44.54 -26.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -172.04 57.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 44.7 m-85 -153.27 143.17 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 95.8 m-85 -118.27 172.12 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 41' ' ' PHE . 63.4 mt -89.8 127.67 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 39' ' ' CYS . 27.1 mmtm -103.96 -68.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -150.02 138.78 12.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.403 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 40' ' ' SER . 21.3 t -97.99 128.97 32.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 149.92 67.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 109' ' ' PRO . 2.3 tp -67.71 -35.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -83.3 -31.79 26.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -72.19 147.17 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -148.81 105.87 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.48 -8.83 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' ILE . 14.4 pttp -82.93 -43.81 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.752 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.9 pt -72.59 -175.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -120.38 164.9 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 78.1 tttt -47.53 -59.89 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -46.27 -60.36 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -46.5 20.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . -45.47 -45.74 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -56.28 -44.89 80.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.39 -45.89 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 23' ' ' ILE . 14.0 mt -47.9 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 42' ' ' LEU . 9.2 mt -61.77 -11.65 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -94.62 -14.16 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -128.45 -72.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.7 m -64.7 -22.62 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.51 175.39 19.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -145.92 -175.68 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.801 HG13 ' HA ' ' A' ' 59' ' ' THR . 36.3 t -65.76 -3.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.7 m -119.9 29.99 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -146.07 145.05 30.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 55' ' ' LEU . 6.0 p90 -132.72 173.66 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -159.96 138.67 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.06 148.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -151.78 139.37 12.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.07 12.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -119.17 172.04 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -162.75 126.27 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 41' ' ' PHE . 5.5 tt -85.77 148.06 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.575 ' N ' HD23 ' A' ' 55' ' ' LEU . 89.6 m-85 -124.99 107.62 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -118.18 147.25 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 7.8 tpt180 -98.95 136.26 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.801 ' HA ' HG13 ' A' ' 38' ' ' VAL . 18.9 p -128.98 170.01 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -54.75 -41.26 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.44 -64.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.75 164.37 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 33' ' ' MET . 59.3 mt -59.94 124.4 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.34 178.03 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -144.79 114.99 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -101.65 156.0 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -120.07 120.67 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -113.42 118.61 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 m -109.84 142.11 25.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 165.6 30.52 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -138.25 145.28 46.6 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.09 3.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.3 17.86 21.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.88 33.44 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.36 -178.49 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.4 m-85 -128.68 131.47 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.4 mtp -97.42 122.43 40.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.72 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.27 60.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.26 26.87 54.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.84 177.55 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -131.37 131.08 43.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 89' ' ' ILE . 95.8 m-85 -134.2 132.5 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' TYR . 8.7 t-20 -37.3 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 32.9 t -150.02 161.7 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 89' ' ' ILE . 86.3 mt -45.43 -48.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.19 -47.58 4.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.446 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.41 -56.68 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 86' ' ' ILE . 71.0 mt -37.06 -36.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.74 -69.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.26 -38.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -67.59 -45.01 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.94 -37.55 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -49.1 -28.91 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -99.03 -16.68 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -124.83 119.09 27.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 1.5 pt20 -44.57 115.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 99' ' ' VAL . 7.5 tt -73.85 -24.27 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.1 t -118.45 -174.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.9 pt-20 -82.65 38.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.598 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 141.96 35.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 13.8 m-85 -150.23 148.37 28.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 60.0 m-85 -126.52 168.14 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 61.9 mt -94.79 88.74 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -65.93 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -154.13 141.76 13.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.5 t -67.93 124.58 89.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' HD11 ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.8 154.14 67.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.643 2.229 . . . . 0.0 112.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.702 0.287 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -82.66 -34.06 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 34.7 p-90 -78.24 -27.06 47.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 31.9 t80 -74.36 156.78 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -151.77 127.65 10.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -39.88 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -40.43 82.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 pt -68.68 -178.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 m -122.61 164.18 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -46.84 -52.86 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -39.9 -56.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -34.02 -51.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.87 -51.64 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.42 -48.64 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 28' ' ' ALA . 10.8 mt -47.55 -53.78 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' HG ' HD23 ' A' ' 42' ' ' LEU . 18.6 mt -60.04 -16.59 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.557 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.3 -22.12 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 p -112.11 -74.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 108' ' ' VAL . 21.5 m -65.75 -19.29 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.07 161.54 13.06 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -146.2 -178.05 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' SG ' ' A' ' 39' ' ' CYS . 5.0 t -40.48 140.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' HG12 ' A' ' 38' ' ' VAL . 4.6 m 67.32 40.14 2.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -127.58 137.99 52.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CD2' HD22 ' A' ' 104' ' ' LEU . 2.5 p90 -133.45 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.2 pp -159.48 147.52 17.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -108.07 140.2 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 45' ' ' PRO . 28.6 ptt85 -150.33 151.71 31.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 54.0 Cg_endo -69.75 149.27 66.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -126.85 158.53 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -147.85 130.87 16.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.2 tt -101.04 149.88 23.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.6 ' N ' HD23 ' A' ' 55' ' ' LEU . 9.7 m-85 -129.14 131.88 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' A' ' 99' ' ' VAL . 16.7 t80 -119.29 156.49 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -117.84 131.55 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 57' ' ' PHE . 44.8 p -140.87 157.97 44.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -43.96 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.13 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -168.87 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.8 mt -82.19 124.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.01 177.51 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -148.41 134.51 19.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.01 164.47 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 122.99 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt -112.83 108.35 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.8 m -99.17 142.14 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.7 41.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.436 HG21 ' HG3' ' A' ' 77' ' ' MET . 38.8 p -137.67 144.55 45.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -13.23 34.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -87.58 22.31 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' GLN . 71.6 m-20 57.48 49.77 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' A' ' 74' ' ' ASN . 6.7 mm100 -145.85 -176.23 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -130.82 131.21 44.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.436 ' HG3' HG21 ' A' ' 71' ' ' THR . 14.4 mtp -104.58 127.14 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 ttt -120.86 -56.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.37 46.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.41 85.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.6 161.33 21.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.32 120.16 40.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.522 ' CG ' HG12 ' A' ' 89' ' ' ILE . 2.9 m-85 -114.24 165.03 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.49 -51.5 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -167.26 160.17 13.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.1 mt -40.91 -51.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.57 -55.17 5.41 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ILE . 26.0 t0 -57.65 -57.7 11.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.522 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.9 mt -36.96 -49.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 104' ' ' LEU . 29.4 mt -57.57 -61.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.454 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 26.8 t70 -51.48 -56.98 10.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -49.45 -29.22 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -78.97 -31.85 45.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 91' ' ' ASP . 24.7 mmt180 -41.93 -43.37 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -19.19 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -102.32 116.18 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 103' ' ' TYR . 71.5 mt-30 -52.93 94.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 ' CG2' ' A' ' 99' ' ' VAL . 14.1 tt -57.76 -16.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -126.42 178.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.659 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.2 pt-20 -41.29 -27.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.81 48.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -134.68 136.24 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 97' ' ' GLN . 89.9 m-85 -104.07 166.56 10.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.621 HD22 ' CD2' ' A' ' 41' ' ' PHE . 45.7 mt -89.75 97.62 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -71.25 -63.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.92 141.59 4.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.434 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.76 174.27 9.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 109' ' ' PRO . 96.8 t -84.69 138.47 37.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.635 0.731 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.73 172.98 11.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.728 0.299 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -90.63 -32.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 31.4 p-90 -79.18 -18.51 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 88.2 t80 -81.89 157.11 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 9.9 m-70 -151.02 138.47 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 -41.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.69 -34.15 73.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 pt -78.85 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 t -126.95 161.2 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -38.17 -64.41 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 17.4 mp0 -42.31 -53.51 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.1 -53.01 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -38.36 -42.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.95 -66.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -47.97 -35.37 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 28' ' ' ALA . 12.9 mt -62.32 -53.28 57.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 10.1 mt -69.03 -3.34 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.493 ' SD ' HD11 ' A' ' 63' ' ' ILE . 86.2 mmm -102.96 -19.44 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -119.3 -74.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.65 -18.75 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.3 156.94 18.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -118.34 176.94 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.1 t -65.03 -6.9 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.34 35.32 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.84 141.42 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CD2' HD11 ' A' ' 55' ' ' LEU . 29.7 p90 -130.7 -177.74 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.2 pp -165.42 163.46 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.484 HG22 HD12 ' A' ' 55' ' ' LEU . 93.1 t -127.6 128.63 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -131.05 143.85 51.12 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.87 10.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -139.7 152.3 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.0 m -138.18 135.03 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 43' ' ' VAL . 5.0 tp -96.16 143.82 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 46.5 m-85 -131.52 109.24 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -116.28 149.15 39.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -101.79 130.81 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -131.07 161.62 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -40.28 27.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -72.03 -74.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -161.88 160.99 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 ' SD ' ' A' ' 33' ' ' MET . 84.9 mt -61.24 127.64 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.9 173.11 8.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -148.75 116.83 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.04 167.79 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.08 120.22 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.1 mt -109.13 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.54 133.98 35.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.716 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.5 35.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.4 p -108.45 150.99 41.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.23 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -89.09 37.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 45.25 53.7 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -147.41 -175.03 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -134.77 134.77 41.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 mtp -99.31 116.01 30.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.41 87.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.27 59.59 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.11 27.23 59.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -136.35 134.47 37.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.12 151.69 19.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.474 ' CG ' HG12 ' A' ' 89' ' ' ILE . 57.0 m-85 -147.19 158.54 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.51 -49.74 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ILE . 4.1 m -162.9 151.51 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 89' ' ' ILE . 57.9 mt -34.14 -62.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.14 -41.39 2.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 22.6 t70 -64.65 -53.81 41.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 86' ' ' ILE . 52.5 mt -39.85 -40.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' HIS . 34.9 mt -71.22 -67.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' ILE . 1.6 m-20 -37.04 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' ILE . 71.2 t60 -73.9 -55.86 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 6.3 m-85 -55.47 -29.8 59.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -51.34 -33.04 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -105.27 -15.57 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -119.09 124.69 47.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.9 pt20 -54.11 116.08 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 HG23 ' A' ' 99' ' ' VAL . 13.7 tt -72.69 -24.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.72 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -118.08 -174.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -82.17 39.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.525 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 140.91 34.85 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 41.2 m-85 -152.42 139.61 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 65.8 m-85 -115.45 174.25 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 93' ' ' TYR . 81.7 mt -101.06 106.81 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -81.14 -73.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -145.27 143.5 20.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.74 166.9 26.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.54 124.04 87.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.11 62.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 51.9 mmtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.76 0.315 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 18' ' ' TRP . 16.3 tt -44.94 -43.78 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.5 ' N ' HG23 ' A' ' 17' ' ' ILE . 42.6 p-90 -76.44 -38.06 56.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -64.06 122.82 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -123.13 93.12 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.87 -17.19 11.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -76.43 -55.7 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.8 pt -51.25 -176.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -123.7 158.72 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -42.34 -56.85 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -52.31 -55.73 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -46.68 55.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -45.63 -39.19 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -67.25 -53.82 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -59.74 -31.8 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.2 mt -64.57 -61.44 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.3 mt -58.0 -12.47 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.5 -19.21 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -112.65 -74.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 36' ' ' GLY . 5.1 m -69.13 -44.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.503 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -81.64 143.89 23.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' OG ' ' A' ' 40' ' ' SER . 12.1 mm-40 -115.11 -177.03 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.2 t -57.43 -12.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -120.03 34.15 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 37' ' ' GLN . 53.8 p -132.9 141.16 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -136.55 173.23 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 42' ' ' LEU . 3.9 pp -163.73 144.68 8.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.17 124.05 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -123.81 140.34 34.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.72 26.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 1.8 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 28.5 p30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.79 162.75 34.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -154.05 132.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.3 tt -99.54 150.6 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.521 ' N ' HD23 ' A' ' 55' ' ' LEU . 14.4 m-85 -127.46 144.35 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -149.12 146.1 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 14.0 tpt180 -99.99 130.31 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.437 ' HA ' HG13 ' A' ' 38' ' ' VAL . 21.1 p -125.4 169.9 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.03 -31.36 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -84.45 -67.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -165.26 162.57 19.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.18 121.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -86.04 -176.55 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -152.53 125.47 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -109.52 153.24 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -110.32 135.75 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.3 mt -128.1 118.09 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.0 143.38 26.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.07 25.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 77' ' ' MET . 73.0 p -140.31 146.08 44.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.31 23.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -93.46 25.96 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 55.37 47.87 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.04 178.01 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -127.72 131.53 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.51 ' HG3' HG21 ' A' ' 71' ' ' THR . 5.3 mtm -96.4 130.54 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -41.99 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.6 54.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.13 17.03 80.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -135.31 146.98 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -92.72 135.18 34.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASN . 43.3 m-85 -128.28 143.99 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' TYR . 24.2 m-80 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -170.91 162.01 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.9 mt -40.05 -54.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.4 -41.58 32.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.47 -55.78 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 77.9 mt -37.73 -41.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.94 -65.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -43.89 -44.14 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -60.95 -39.51 89.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.36 -38.17 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -47.35 -31.34 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -101.3 -20.48 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.49 119.05 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.606 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 1.1 pt20 -47.31 120.36 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.612 HG23 HG23 ' A' ' 99' ' ' VAL . 15.3 tt -79.71 -31.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -108.99 -175.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.729 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.3 pt-20 -83.4 36.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.49 33.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -150.58 142.62 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.921 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.606 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 29.0 m-85 -117.8 169.46 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.86 99.12 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -73.15 -72.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -143.6 143.92 25.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 118.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.98 6.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 61.1 mmtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 18' ' ' TRP . 20.4 tt -66.17 -40.93 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.5 p-90 -70.03 -14.24 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 74.2 t80 -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 18.3 m-70 -150.53 124.65 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.94 -32.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -64.01 -43.39 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 31' ' ' LEU . 12.2 pt -68.25 -175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 t -118.08 -174.98 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -69.67 -52.01 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -61.23 -38.66 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -48.13 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.09 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.28 -44.9 92.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' THR . 6.2 m-20 -67.57 -45.74 74.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.689 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.9 mt -49.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 28.0 mt -57.82 -13.24 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.751 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -102.48 -13.82 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASN . 12.1 p -111.03 -75.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' CG2' ' A' ' 108' ' ' VAL . 2.7 m -75.47 -36.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 37' ' ' GLN . . . -70.93 -170.68 10.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 82.8 mt-30 -159.79 -176.81 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.7 t -69.86 -0.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 m -132.87 42.1 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -147.64 153.42 39.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' HD2' HD11 ' A' ' 55' ' ' LEU . 1.9 p90 -147.35 -178.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.9 pp -168.57 152.65 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 55' ' ' LEU . 56.7 t -109.0 132.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -132.38 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.7 16.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 2.8 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -148.49 162.97 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -151.76 135.75 16.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 43' ' ' VAL . 12.9 tp -90.45 161.89 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 27.3 m-85 -143.33 112.45 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.09 146.97 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -100.5 144.36 29.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.669 HG21 ' NE2' ' A' ' 64' ' ' GLN . 71.4 p -141.09 172.27 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -43.63 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.09 -68.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -165.32 157.63 15.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.2 mt -59.66 122.89 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.669 ' NE2' HG21 ' A' ' 59' ' ' THR . 7.0 pt20 -105.37 165.02 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -144.57 157.11 44.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD2' HD23 ' A' ' 55' ' ' LEU . 5.2 m-85 -129.28 168.65 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -119.55 136.74 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.84 121.27 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.69 140.55 21.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 167.08 25.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.1 p -142.18 144.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.13 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -95.44 22.21 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 59.02 31.77 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -131.87 -176.53 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.28 139.95 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 mtp -108.56 128.64 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 ttt -128.29 100.32 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.54 -58.55 4.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.48 32.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -135.98 177.26 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -125.03 132.58 53.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -132.54 137.58 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m-80 -41.77 -49.54 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -164.98 161.09 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 90' ' ' ILE . 73.2 mt -47.59 -49.22 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.31 -38.64 12.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.34 -54.01 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.536 HG22 ' CE2' ' A' ' 93' ' ' TYR . 8.4 mt -37.05 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.4 mp -64.87 -54.73 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.73 -27.22 69.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.07 -37.26 64.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.536 ' CE2' HG22 ' A' ' 89' ' ' ILE . 10.4 m-85 -78.71 -37.65 41.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -46.9 -27.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -109.03 -11.24 14.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -123.68 117.46 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.5 pt20 -46.75 115.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 99' ' ' VAL . 13.9 tt -77.14 -18.89 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -124.38 -174.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.63 36.29 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -151.83 139.37 19.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.51 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 53.1 m-85 -117.16 163.02 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 85.4 mt -87.82 98.54 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -74.19 -71.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.68 136.98 11.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.35 42.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.687 ' CG2' HG23 ' A' ' 35' ' ' VAL . 7.2 p -66.54 133.9 94.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 108' ' ' VAL . 53.9 Cg_endo -69.73 171.78 13.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 38.0 mmtt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.733 0.302 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.14 -30.32 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 47.0 p-90 -81.45 -28.33 34.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -78.42 132.45 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -132.07 118.56 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -29.66 1.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -41.73 98.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG21 HD11 ' A' ' 31' ' ' LEU . 32.0 pt -69.59 172.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -111.58 175.94 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' NH2' ' A' ' 44' ' ' ARG . 30.3 tttm -57.88 -53.43 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 -59.06 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.9 mt-10 -45.13 -56.1 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.44 -49.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.09 -46.99 82.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.8 m-20 -65.69 -41.2 92.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 23' ' ' ILE . 40.7 mt -54.09 -65.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 11.2 mt -49.41 -18.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.683 ' SD ' HD11 ' A' ' 63' ' ' ILE . 93.2 mmm -91.1 -28.97 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.7 p -103.7 -74.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 36' ' ' GLY . 35.3 m -64.64 -45.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -76.25 -170.54 30.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.49 178.57 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 38' ' ' VAL . 14.4 p -70.75 1.16 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.7 20.69 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -133.8 158.02 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.0 p90 -144.7 179.78 7.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.6 pp -166.84 158.39 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 55' ' ' LEU . 61.2 t -113.22 133.21 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ttt-85 -138.54 140.09 26.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.841 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 45' ' ' PRO . 70.3 m-85 -147.62 174.17 12.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -161.04 143.12 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 41' ' ' PHE . 7.2 tp -96.83 139.21 33.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.481 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 73.6 m-85 -120.31 106.27 11.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -120.39 143.75 48.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 10.5 tpt180 -101.02 135.3 42.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' GLU . 72.8 p -119.41 150.42 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' THR . 18.2 p30 -33.79 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' THR . 33.7 tt0 -82.21 -74.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -149.29 -176.08 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.683 HD11 ' SD ' ' A' ' 33' ' ' MET . 69.5 mt -84.69 133.42 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -96.54 -178.78 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -149.5 113.64 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.21 179.01 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -131.66 137.59 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.5 mt -131.59 118.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.42 135.22 21.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.76 41.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 31.8 p -107.9 148.93 38.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.06 11.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -105.43 50.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ASN . 75.6 m-80 37.09 51.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -151.31 -175.69 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -128.99 160.52 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.458 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 37.1 mtp -118.43 118.71 32.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 84.64 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.56 61.54 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.84 38.9 60.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.22 169.32 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.4 130.23 42.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CD1' HG12 ' A' ' 89' ' ' ILE . 91.3 m-85 -138.09 146.6 43.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.41 -48.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ILE . 3.2 m -172.88 157.85 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . 76.6 mt -34.45 -52.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.49 -45.42 17.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -64.44 -54.74 27.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 83' ' ' TYR . 87.3 mt -37.07 -31.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 71.7 mt -71.47 -62.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.3 -38.35 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -64.57 -44.56 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.542 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 10.8 m-85 -68.33 -31.04 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -50.94 -36.76 40.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -99.28 -12.33 20.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -125.73 116.47 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 78.5 mt-30 -54.23 111.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 99' ' ' VAL . 9.1 tt -61.83 -35.78 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.7 t -104.76 178.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.719 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.0 pt-20 -35.26 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.58 50.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.443 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 12.0 m-85 -126.47 145.91 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 28.4 m-85 -116.07 156.59 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.7 mt -87.3 91.61 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -60.91 -69.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.81 142.08 15.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.37 62.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.424 HG21 HD23 ' A' ' 32' ' ' LEU . 60.2 t -54.42 122.21 36.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 162.82 40.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.3 mmtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -68.75 -32.54 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 p-90 -84.34 -13.0 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CB ' ' HB2' ' A' ' 16' ' ' LYS . 39.0 t80 -89.22 143.03 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -135.15 115.73 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 -20.76 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -78.61 -42.48 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 31' ' ' LEU . 32.7 pt -66.27 -175.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -126.03 173.87 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -53.34 -55.36 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -56.02 -58.83 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.18 -46.28 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -48.5 -35.72 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.21 -50.33 34.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -28.36 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 28' ' ' ALA . 54.9 mt -65.98 -52.5 48.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.96 -8.52 49.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.637 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -96.75 -24.13 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -115.44 -75.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.0 m -63.04 -20.8 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.47 -160.34 35.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -159.92 179.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 38' ' ' VAL . 99.4 t -66.25 -7.79 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.4 m -134.86 35.71 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -111.81 142.93 43.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 104' ' ' LEU . 5.6 p90 -138.15 168.05 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 pp -165.32 155.14 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 55' ' ' LEU . 94.9 t -104.92 134.39 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.593 ' NH2' ' CE2' ' A' ' 56' ' ' TYR . 8.8 ttp85 -143.35 139.99 17.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -125.96 176.41 7.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -160.51 129.39 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 41' ' ' PHE . 4.3 tp -86.86 152.31 22.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 44' ' ' ARG . 17.2 m-85 -129.64 107.58 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 63' ' ' ILE . 25.7 t80 -114.76 158.69 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -113.89 144.45 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -145.03 164.56 30.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -47.56 -44.6 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -67.14 -72.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -167.42 157.04 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 57' ' ' PHE . 58.1 mt -54.7 134.5 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.88 178.09 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 56' ' ' TYR . 42.5 mtm180 -151.51 117.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -93.82 160.6 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -120.66 105.08 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.4 mt -99.21 115.76 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.73 134.57 19.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 p -106.73 148.98 37.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.65 36.39 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -85.85 22.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.5 t30 59.73 42.16 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.9 172.29 12.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -115.29 154.28 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.5 mtp -122.01 129.24 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.691 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -140.13 105.43 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.83 47.96 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 34.2 80.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -132.81 177.27 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -131.08 145.73 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.52 ' CG ' HG12 ' A' ' 89' ' ' ILE . 68.5 m-85 -149.84 166.68 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -63.84 -47.79 79.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.1 p -174.61 160.02 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 89' ' ' ILE . 82.0 mt -39.29 -66.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.81 -52.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' ILE . 26.9 m-20 -62.48 -57.82 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 86' ' ' ILE . 89.9 mt -34.67 -32.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 88' ' ' ASP . 65.3 mt -72.23 -49.35 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' ASP . 4.8 m-20 -60.71 -29.47 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -74.68 -39.16 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.585 ' CB ' HD12 ' A' ' 104' ' ' LEU . 7.3 m-85 -74.19 -36.96 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -108.62 -5.38 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -130.1 115.21 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 58.3 mt-30 -44.2 108.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 78' ' ' MET . 12.9 tt -65.22 -25.73 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.705 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -117.8 -174.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.705 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.1 pt-20 -80.72 40.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.3 37.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -147.86 134.06 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 97' ' ' GLN . 9.3 m-85 -109.43 169.95 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.687 HD22 ' CD1' ' A' ' 41' ' ' PHE . 33.5 mt -102.4 97.82 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -68.79 -74.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.71 143.88 17.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -179.95 3.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.385 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -98.27 127.98 34.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.31 66.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.9 mmtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.292 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 18' ' ' TRP . 6.6 tt -65.88 -41.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 44.7 p-90 -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' N ' ' CE3' ' A' ' 18' ' ' TRP . 23.4 t80 -71.09 123.8 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.98 81.25 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.96 -17.79 31.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -71.03 -48.64 51.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' ALA . 42.8 pt -61.8 -176.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 m -125.45 176.91 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -62.01 -46.47 89.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -63.71 -56.04 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.61 -59.87 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -34.8 -53.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -49.01 -50.7 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.23 -37.57 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 35' ' ' VAL . 20.3 mt -57.19 -64.12 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.5 mt -49.68 -22.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 63' ' ' ILE . 87.6 mmm -88.22 -27.88 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -106.04 -75.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 31' ' ' LEU . 22.0 m -63.41 -38.22 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.96 158.3 24.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 40' ' ' SER . 53.2 mt-30 -146.06 -175.35 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' VAL . 2.5 t -45.63 146.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.2 m 63.39 29.4 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 11.2 t -119.94 144.44 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -145.27 170.16 16.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.6 pp -172.51 142.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 44' ' ' ARG . 90.0 t -95.17 159.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.537 ' N ' HG12 ' A' ' 43' ' ' VAL . 13.5 mtp-105 -150.51 127.92 5.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' SER . 53.9 Cg_endo -69.75 114.34 3.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' PRO . 19.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 10.4 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 52' ' ' ASP . 13.9 m-85 -143.01 165.17 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.7 m -140.7 131.46 25.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -96.95 142.16 29.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 82.4 m-85 -126.76 118.46 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -115.22 139.24 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 21.6 tpt180 -104.73 125.26 50.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -130.6 158.72 39.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -54.17 -27.93 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -78.59 -64.54 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 23.2 p30 -170.92 154.49 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 33' ' ' MET . 89.2 mt -60.56 122.82 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -72.01 -173.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -166.29 114.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -120.76 173.47 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -133.56 147.75 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.86 117.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.24 140.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.58 49.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.9 p -128.77 150.15 74.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.548 0.69 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.77 5.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -113.12 45.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m120 38.96 48.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -140.74 179.25 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -130.11 139.45 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.4 mtp -111.86 119.69 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.458 ' CE ' HD22 ' A' ' 55' ' ' LEU . 12.2 ttt -118.08 85.18 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.71 -65.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.1 34.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -138.01 173.27 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -125.63 133.1 52.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CD2' HG12 ' A' ' 89' ' ' ILE . 94.0 m-85 -134.4 138.86 45.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.14 -57.15 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.2 t -143.98 142.02 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 89' ' ' ILE . 97.7 mt -34.04 -58.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.57 -52.87 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -54.12 -51.54 63.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.2 mt -41.07 -35.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mp -70.25 -47.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.18 -28.82 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -76.0 -56.58 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 7.4 m-85 -49.99 -37.78 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -49.82 -30.43 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -97.99 -28.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.23 115.53 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -50.62 114.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.763 HG23 HG23 ' A' ' 99' ' ' VAL . 13.5 tt -67.82 -18.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -124.84 174.44 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.699 ' H ' HG12 ' A' ' 99' ' ' VAL . 14.2 pt-20 -35.08 -36.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -171.9 59.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -143.23 143.76 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.66 146.16 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.35 108.28 5.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -82.47 -67.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.97 137.78 12.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.543 HG21 HD23 ' A' ' 42' ' ' LEU . 55.6 t -82.65 129.84 60.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 146.18 59.45 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 110' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 42.4 mmtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.775 0.321 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -85.1 -24.75 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 50.9 p-90 -85.89 -33.29 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -64.8 150.73 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -151.02 105.9 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.74 -30.31 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.28 -53.69 53.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.67 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.7 pt -58.95 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -108.65 -177.29 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -65.75 -49.08 69.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.85 -50.98 66.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -44.93 -46.51 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -51.1 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -47.64 -37.68 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.33 -39.38 28.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 23' ' ' ILE . 12.5 mt -57.37 -35.1 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HG ' HD23 ' A' ' 42' ' ' LEU . 10.8 mt -86.23 -3.48 58.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -109.05 -16.77 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -111.89 -69.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 31' ' ' LEU . 33.8 m -79.73 -26.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.04 167.8 26.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.73 -178.5 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . 96.7 t -63.26 -10.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -117.65 28.22 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -128.88 143.29 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 55' ' ' LEU . 1.5 p90 -131.77 175.37 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.457 HD23 ' HG ' ' A' ' 32' ' ' LEU . 4.1 pp -163.49 157.82 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 t -121.39 143.69 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -140.99 147.45 47.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.05 14.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.836 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 86' ' ' ILE . 80.5 m-85 -140.58 163.03 33.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m -145.25 121.85 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.933 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.3 tt -94.24 162.34 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.933 ' N ' HD23 ' A' ' 55' ' ' LEU . 61.8 m-85 -145.26 123.33 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 44.5 t80 -130.07 143.31 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 17.2 tpt180 -91.81 137.7 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 p -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -53.76 -56.92 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -65.09 -61.06 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -172.37 -179.85 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.94 134.96 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -95.95 -179.56 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -142.05 116.56 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.19 174.05 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -137.62 113.8 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -108.6 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.8 133.85 31.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.77 67.47 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.26 . . . . 0.0 112.406 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -128.06 144.77 52.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.45 30.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -87.72 21.48 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.94 42.36 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -139.5 -175.97 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.9 m-85 -131.32 140.83 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.0 mtp -115.3 111.66 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 93' ' ' TYR . 7.3 ttt -112.74 -41.37 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.36 65.98 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.07 12.18 42.35 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -119.92 176.39 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.76 118.36 20.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -116.82 172.66 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -72.97 -54.99 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.51 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 91.3 p -165.1 169.52 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 53' ' ' TYR . 73.6 mt -45.87 -57.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.29 -47.68 5.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.46 -56.66 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 93' ' ' TYR . 30.3 mt -39.8 -46.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.9 mt -58.63 -55.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.95 -43.77 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -63.52 -55.06 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.5 m-85 -52.38 -39.94 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -53.17 -25.82 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -92.23 -27.33 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 97' ' ' GLN . 25.6 mp0 -125.37 114.34 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.603 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 3.7 pt20 -34.65 117.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.539 HG23 HG23 ' A' ' 99' ' ' VAL . 3.3 tt -71.99 -24.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.52 178.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.676 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pp20? -39.54 -41.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.92 38.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -126.15 137.7 53.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.603 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 47.3 m-85 -110.88 154.68 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.98 102.15 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -77.65 -71.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -149.74 139.15 13.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.91 58.88 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 35' ' ' VAL . 50.6 t -70.52 120.17 77.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.01 58.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 66.6 mmtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.33 -30.79 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.8 p-90 -87.31 -20.64 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 49.2 t80 -80.26 162.78 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 11.1 m-70 -154.89 117.7 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.67 -34.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.47 -40.62 96.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 pt -73.96 -175.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -127.6 164.73 21.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' N ' ' NH2' ' A' ' 44' ' ' ARG . 36.4 tttm -51.52 -42.17 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.68 -46.9 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.44 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.4 -49.78 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -71.81 -40.79 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.7 mt -55.53 -49.92 71.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 4.4 mt -67.16 -17.4 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG2' HD11 ' A' ' 63' ' ' ILE . 47.0 mmm -95.56 -17.57 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -108.9 -59.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.5 m -86.46 -30.08 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.09 156.13 30.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' C ' ' HG2' ' A' ' 58' ' ' ARG . 40.3 mt-30 -131.87 -174.94 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.3 p -63.35 -2.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 82.5 m -135.0 46.05 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -148.65 140.13 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.702 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.5 p90 -137.77 179.09 6.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -163.37 155.89 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.25 142.45 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH2' ' N ' ' A' ' 25' ' ' LYS . 3.3 ptm85 -153.47 154.28 30.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.06 52.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 4.7 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 51.1 m-85 -158.72 172.29 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -165.18 141.71 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 56' ' ' TYR . 7.6 tt -97.12 151.55 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.716 ' N ' HD23 ' A' ' 55' ' ' LEU . 7.7 m-85 -129.15 120.16 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -131.96 136.82 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HG2' ' C ' ' A' ' 37' ' ' GLN . 5.4 ttt180 -94.89 141.05 29.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 57.9 p -120.77 165.51 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.25 -16.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.0 -75.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.03 163.96 38.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.415 HD11 ' HG2' ' A' ' 33' ' ' MET . 23.1 mt -67.86 135.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.421 HE22 HG11 ' A' ' 99' ' ' VAL . 72.5 mt-30 -102.95 -175.79 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -146.33 127.46 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -105.67 -177.01 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -142.87 122.26 13.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.68 98.87 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.7 m -85.4 140.8 36.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -129.52 151.42 77.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.74 14.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . 20.8 m120 -102.0 43.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ASN . 8.8 m-20 37.75 40.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -138.25 -178.42 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.81 147.95 50.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 mtp -112.53 126.85 55.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.2 ttt -133.27 97.44 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.58 52.83 6.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.75 33.04 66.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -128.73 157.4 41.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.86 137.58 54.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 89' ' ' ILE . 96.6 m-85 -145.04 137.45 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -39.69 -53.65 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' ILE . 14.0 t -158.24 156.31 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 89' ' ' ILE . 93.9 mt -36.28 -58.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.14 -46.6 1.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -58.61 -59.27 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.544 HG12 ' CD1' ' A' ' 83' ' ' TYR . 61.5 mt -35.84 -41.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.65 -68.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -44.06 -30.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -74.5 -45.59 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.494 ' CE2' HD12 ' A' ' 98' ' ' ILE . 5.7 m-85 -61.44 -43.03 99.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -40.94 -40.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -97.88 -18.23 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.16 116.89 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.53 119.21 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.744 HG23 HG23 ' A' ' 99' ' ' VAL . 3.8 tt -74.99 -27.94 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.744 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -118.46 178.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.6 pt-20 -37.26 -32.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -175.77 56.57 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.416 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 23.3 m-85 -140.53 151.03 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.924 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -118.19 170.75 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.702 HD22 ' CD1' ' A' ' 41' ' ' PHE . 80.9 mt -106.63 99.71 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -68.23 -68.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -150.73 142.67 15.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.78 169.45 18.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.402 HG13 ' HD2' ' A' ' 109' ' ' PRO . 47.2 t -82.63 132.74 51.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.8 156.41 63.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.17 -38.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -74.39 -16.95 60.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -82.29 141.77 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -140.13 108.5 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.32 -19.02 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.66 -45.91 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -66.51 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -115.35 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -67.15 -47.25 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -59.59 -47.78 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.52 -50.0 73.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -42.82 -41.18 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -62.65 -60.82 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -53.68 -39.12 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.7 mt -59.48 -60.24 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 42' ' ' LEU . 16.0 mt -63.69 -8.24 9.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.575 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -97.92 -24.41 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 p -112.12 -73.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 31' ' ' LEU . 21.8 m -65.11 -24.29 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.29 -176.52 41.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' CYS . 15.2 tt0 -157.11 164.94 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 48.4 t -43.13 -22.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' GLN . 8.8 m -112.25 45.48 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -138.42 135.48 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.3 p90 -128.8 164.92 21.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.1 pp -164.2 138.12 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.11 150.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -156.11 139.57 11.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.26 15.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -143.98 167.03 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -158.99 133.64 8.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 41' ' ' PHE . 10.4 tp -86.78 152.5 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 14.7 m-85 -131.72 102.94 6.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 31.8 t80 -114.59 146.22 41.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 11.7 tpt180 -94.72 137.97 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HA ' HG13 ' A' ' 38' ' ' VAL . 69.8 p -135.62 155.44 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -43.09 -36.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -76.8 -72.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -165.8 152.22 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 33' ' ' MET . 56.2 mt -46.76 122.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -91.06 179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -148.48 128.76 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -109.32 142.76 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.4 130.89 42.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.01 102.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.88 134.79 24.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.79 51.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.268 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 p -109.12 148.49 38.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.1 20.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.36 38.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 34.7 t30 48.54 40.27 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.48 -175.21 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -131.95 154.02 49.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.4 mtp -116.06 123.36 47.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.4 ttt -134.38 90.56 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.19 49.33 4.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.93 28.4 66.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -125.69 158.16 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -120.01 122.26 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CG ' HG12 ' A' ' 89' ' ' ILE . 62.6 m-85 -123.11 162.46 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 4.8 p-10 -66.38 -53.76 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.1 p -155.69 151.03 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 90' ' ' ILE . 26.1 mt -39.02 -61.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 90' ' ' ILE . . . -37.63 -42.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.75 -50.8 65.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 86' ' ' ILE . 86.5 mt -42.81 -29.03 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 86' ' ' ILE . 5.1 mp -77.09 -45.97 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.31 -33.15 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -75.27 -36.46 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.521 ' CB ' HD12 ' A' ' 104' ' ' LEU . 3.7 m-85 -73.89 -27.7 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -57.11 -13.67 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.1 -17.85 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -112.6 145.65 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -70.54 103.85 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.77 HG23 HG23 ' A' ' 99' ' ' VAL . 7.9 tt -66.25 -23.54 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.77 HG23 HG23 ' A' ' 98' ' ' ILE . 2.0 t -121.57 173.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.4 pt-20 -36.42 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -174.62 56.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -139.73 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.13 151.58 47.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 93' ' ' TYR . 96.8 mt -83.57 107.21 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -77.68 -70.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -154.47 142.81 14.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.46 12.61 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.44 127.88 74.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 146.42 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 55.0 mmtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -66.79 -35.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 36.9 p-90 -79.31 -16.35 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.68 147.14 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -144.24 105.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.04 -9.06 6.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -28.46 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.301 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 31' ' ' LEU . 18.6 pt -79.5 173.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -119.34 155.86 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.23 -65.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -45.16 -57.17 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' ASN . 3.2 mm-40 -49.8 -55.99 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.62 -51.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -55.77 -46.22 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 t30 -73.7 -21.94 60.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.6 mt -70.64 -58.49 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 42' ' ' LEU . 4.4 mt -53.34 -26.78 20.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 63' ' ' ILE . 90.2 mmm -78.83 -32.53 46.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 p -104.11 -70.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 31' ' ' LEU . 26.5 m -64.24 -26.22 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.02 171.5 16.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -152.72 175.05 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.3 136.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.5 m 66.09 46.42 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 m -136.54 139.18 42.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 11.1 p90 -129.13 173.98 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.8 pp -163.02 140.54 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 86' ' ' ILE . 89.1 t -98.56 134.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -150.26 139.65 13.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.62 28.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -131.9 156.68 45.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -147.24 124.61 11.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 55' ' ' LEU . 10.0 tt -95.9 144.01 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 28.5 m-85 -117.81 157.57 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -148.62 136.55 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 13.8 ttt85 -107.98 125.49 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 p -121.93 151.81 40.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.87 -61.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -166.26 -178.68 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.764 HD11 ' SD ' ' A' ' 33' ' ' MET . 61.2 mt -95.69 139.53 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -111.11 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 18.6 ttp180 -154.06 125.35 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.25 -179.13 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 148.87 52.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.13 110.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.08 134.77 21.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.05 62.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -122.02 149.29 53.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.86 37.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -87.46 42.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 m120 38.07 53.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -147.7 -178.48 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.4 mtp -107.64 117.83 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 72.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.75 -71.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.42 17.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -122.75 171.34 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -115.54 138.97 50.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.2 162.53 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -68.23 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 p -151.08 154.55 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 43' ' ' VAL . 80.3 mt -40.33 -47.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.44 -45.09 8.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -67.87 -52.6 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 88' ' ' ASP . 73.5 mt -39.79 -30.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.474 HG12 ' CZ ' ' A' ' 41' ' ' PHE . 52.9 mt -71.13 -52.82 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -65.82 -40.91 92.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -57.37 -35.91 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.42 -37.23 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -41.05 -39.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -91.06 -26.5 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.42 114.26 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 2.9 pt20 -45.81 104.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 99' ' ' VAL . 8.8 tt -58.11 -28.51 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.706 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -113.46 173.24 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.616 ' H ' HG12 ' A' ' 99' ' ' VAL . 7.3 pt-20 -34.92 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.77 49.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -137.92 131.88 31.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 90.0 m-85 -109.3 139.0 44.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.16 107.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -79.21 -61.71 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -152.05 140.14 13.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.39 8.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.483 HG13 HG23 ' A' ' 35' ' ' VAL . 54.0 t -90.94 121.49 67.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 26.0 mmtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.724 0.297 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.84 -25.57 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.548 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 28.8 p-90 -86.26 -18.19 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.23 149.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -139.05 130.7 27.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.47 -32.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.431 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -44.79 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.622 HD11 HH12 ' A' ' 44' ' ' ARG . 29.1 pt -64.59 -175.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -123.37 171.26 9.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -58.97 -54.49 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.9 -50.13 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.7 mm-40 -54.03 -58.87 5.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -33.72 -45.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.29 -51.24 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 42.3 t30 -64.97 -44.35 89.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 mt -50.3 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 12.0 mt -49.29 -20.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 35' ' ' VAL . 65.6 p -104.36 -75.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 36' ' ' GLY . 33.2 m -62.41 -42.57 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -84.29 163.53 39.37 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' H ' ' CB ' ' A' ' 40' ' ' SER . 2.8 tp-100 -123.8 175.28 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 81.0 t -52.7 -15.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -117.85 37.82 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 17.5 m -130.35 134.98 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 104' ' ' LEU . 11.8 p90 -132.21 176.87 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.0 pp -167.61 149.72 5.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 86' ' ' ILE . 96.5 t -103.09 128.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.622 HH12 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.55 140.14 34.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 53.3 Cg_endo -69.78 144.27 53.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 54.2 m-85 -143.15 176.25 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -157.21 138.73 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -95.69 146.01 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 76.1 m-85 -124.33 129.67 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 63' ' ' ILE . 42.5 t80 -146.12 148.14 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 5.9 tpt180 -99.2 146.8 25.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.475 HG21 HE21 ' A' ' 64' ' ' GLN . 63.9 p -142.38 171.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -58.82 -42.09 88.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -174.19 148.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 33' ' ' MET . 88.4 mt -42.78 129.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.475 HE21 HG21 ' A' ' 59' ' ' THR . 29.8 mt-30 -94.87 165.09 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -137.88 122.39 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.07 159.92 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -112.85 129.51 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -118.25 110.68 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.3 t -101.47 134.35 20.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.95 67.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.396 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -121.81 147.27 48.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.9 17.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.58 25.87 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 56.68 42.21 27.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -137.39 -175.55 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -133.98 130.49 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.2 mtp -94.51 117.33 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -55.7 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.23 55.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.34 21.55 54.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.44 174.5 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -132.26 118.86 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 89' ' ' ILE . 93.3 m-85 -119.57 137.44 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.3 -57.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.3 t -148.65 150.54 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.56 ' HA ' HD12 ' A' ' 89' ' ' ILE . 95.4 mt -35.04 -55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.21 -55.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -53.11 -50.09 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.5 mt -41.99 -39.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.3 mp -66.53 -64.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -45.83 -26.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 98' ' ' ILE . 3.3 m-85 -57.9 -27.63 63.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 14.2 mtp-105 -61.38 -17.32 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -111.81 -12.29 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 4.1 pt20 -38.74 108.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.614 HG23 HG23 ' A' ' 99' ' ' VAL . 8.3 tt -69.74 -20.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -122.29 -174.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.732 ' H ' HG12 ' A' ' 99' ' ' VAL . 6.3 pt-20 -81.21 39.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 137.42 38.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 22.4 m-85 -151.58 150.16 29.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 97' ' ' GLN . 10.7 m-85 -125.82 156.39 39.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.2 mt -78.51 102.59 7.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -72.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -148.61 138.0 12.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.736 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.77 159.77 52.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.544 HG13 ' HD2' ' A' ' 109' ' ' PRO . 84.1 t -72.02 135.74 82.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.76 153.96 68.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.258 . . . . 0.0 112.302 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 59.6 mmtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.773 0.321 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 18' ' ' TRP . 18.6 tt -53.97 -43.39 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 17' ' ' ILE . 28.4 p-90 -76.84 -14.78 59.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -85.05 146.05 27.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -144.25 111.95 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.53 -13.51 2.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -82.73 -29.72 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 pt -78.62 -175.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -117.71 166.84 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -58.28 -60.28 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 15.8 pm0 -54.1 -31.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' N ' ' HG2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.71 -54.46 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.46 -38.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.31 -41.52 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -77.98 -43.57 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 35' ' ' VAL . 42.6 mt -50.58 -54.64 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.82 -26.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -88.17 -15.26 36.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -113.02 -74.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.3 m -69.92 -28.12 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.36 173.68 24.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -155.45 -176.42 5.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' N ' ' HE ' ' A' ' 58' ' ' ARG . 2.9 t -45.93 144.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 m 62.74 42.51 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p -126.72 144.12 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HB2' HD21 ' A' ' 55' ' ' LEU . 2.7 p90 -139.23 161.62 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 44' ' ' ARG . 3.6 pp -158.62 149.92 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -107.43 149.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 1.9 mtp-105 -148.43 147.25 24.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.3 32.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -154.53 159.37 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -137.25 118.46 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.4 tt -90.42 151.97 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.702 ' N ' HD23 ' A' ' 55' ' ' LEU . 66.8 m-85 -133.58 120.09 20.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 63' ' ' ILE . 36.8 t80 -115.2 150.1 36.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 38' ' ' VAL . 18.3 ttt85 -116.72 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.1 p -134.74 162.06 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -49.69 -26.0 3.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.34 -69.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -166.1 157.63 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.7 mt -69.65 127.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.65 159.54 16.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 29.0 ttp180 -130.34 144.64 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -117.41 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -138.24 130.68 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -119.78 106.44 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 98.1 m -93.81 139.78 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.93 51.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.459 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 38.1 p -136.52 149.54 67.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.88 36.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' ASN . 39.3 t30 -87.79 46.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' ASN . 12.8 m-20 34.13 54.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -150.52 -175.0 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -132.55 144.15 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' A' ' 71' ' ' THR . 36.8 mtp -106.65 119.69 39.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.08 107.01 6.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 42.62 17.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.81 38.02 94.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -140.43 179.74 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 14.8 m-85 -128.2 144.85 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 17.6 m-85 -142.51 146.42 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -56.34 -42.39 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.2 p -169.81 152.88 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.1 mt -41.42 -48.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.66 40.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -43.05 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 86' ' ' ILE . 42.0 mt -47.27 -38.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.6 mp -64.59 -64.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.58 -35.92 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -68.02 -51.1 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.23 -33.46 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -50.49 -26.7 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -110.8 -15.9 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -117.24 120.18 37.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.531 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 83.2 mt-30 -55.28 114.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.52 HG23 ' CG2' ' A' ' 99' ' ' VAL . 15.5 tt -69.97 -24.74 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -113.49 -174.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.736 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.0 pt-20 -72.95 2.79 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . 167.77 49.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 60.6 m-85 -154.78 130.83 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 12.6 m-85 -102.17 173.0 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD22 ' CD1' ' A' ' 41' ' ' PHE . 66.3 mt -96.84 87.91 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -58.68 -65.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.91 140.46 8.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.23 4.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.25 129.62 44.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.03 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 17.2 mmmt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.42 -29.64 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.478 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 46.2 p-90 -87.74 -23.23 24.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -82.37 134.4 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -140.86 105.5 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.77 -17.28 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -74.9 -46.27 37.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.8 -177.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 m -119.79 175.92 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -62.58 -55.54 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.41 -32.35 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.02 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.21 -33.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.48 -56.87 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -61.92 -35.95 79.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.0 mt -57.23 -62.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 5.9 mt -57.95 -18.28 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 63' ' ' ILE . 76.9 mmm -86.65 -27.92 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.9 p -110.82 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.1 m -60.2 -27.0 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.69 139.05 14.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -98.78 -177.46 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 38' ' ' VAL . 21.4 t -62.82 -7.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.41 33.36 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -128.58 144.0 51.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 104' ' ' LEU . 9.1 p90 -139.84 -177.09 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD23 HG21 ' A' ' 108' ' ' VAL . 4.5 pp -170.05 159.23 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 55' ' ' LEU . 83.9 t -114.62 137.75 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -132.39 151.06 77.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.546 0.689 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.74 19.96 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . 4.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 1.7 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -138.29 174.8 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -146.07 141.21 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.689 HD12 HG22 ' A' ' 43' ' ' VAL . 4.4 tp -110.68 148.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 61.0 m-85 -135.09 123.64 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -126.7 143.63 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -93.76 127.68 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.5 p -126.03 151.15 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -46.97 -31.25 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.1 -72.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.7 142.52 7.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 33' ' ' MET . 80.0 mt -47.57 126.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -90.29 -176.59 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -157.23 116.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -103.22 174.17 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -133.09 125.62 29.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.8 mt -112.6 108.99 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -98.12 142.29 24.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 156.62 62.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.9 p -129.07 151.51 77.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.1 m120 -102.48 44.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p30 37.04 49.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -142.32 -179.4 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.34 132.64 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 mtp -95.09 128.84 42.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 97.95 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.11 -66.05 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.01 25.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 178.19 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.6 146.28 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -137.7 138.87 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.43 -42.95 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -175.02 168.17 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.66 -63.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.55 -36.52 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.93 -45.39 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 ' CE2' ' A' ' 93' ' ' TYR . 57.5 mt -45.43 -33.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -51.42 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -66.68 -24.05 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -79.19 -34.58 42.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.511 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.6 m-85 -79.2 -31.73 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -49.48 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -105.48 -12.02 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 6.2 mm-40 -126.44 121.38 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 3.1 pt20 -58.01 115.17 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 99' ' ' VAL . 15.2 tt -68.04 -15.59 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.756 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -128.17 171.26 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 99' ' ' VAL . 15.1 pt-20 -36.74 -39.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -165.52 59.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.422 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 39.0 m-85 -148.71 131.22 15.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 98.5 m-85 -110.83 148.42 32.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 27.0 mt -76.66 113.02 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -80.0 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -154.5 141.26 13.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.86 149.95 66.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 35' ' ' VAL . 86.7 t -57.78 124.19 67.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.54 7.95 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -44.25 -37.76 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m 40.16 48.32 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.05 172.7 27.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -107.18 176.59 5.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.362 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -170.88 148.95 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.92 -74.97 0.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -102.02 107.23 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -139.6 162.5 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -120.68 146.56 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.27 153.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -40.31 5.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -81.48 4.27 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.32 38.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 71.6 mmtt -63.21 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.741 0.305 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 tt -81.03 -25.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 30.5 p-90 -85.97 -19.23 30.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -79.57 147.33 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -141.82 126.94 18.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.23 -37.84 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -58.65 -39.35 80.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 31' ' ' LEU . 11.3 pt -73.85 -175.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -123.27 -178.43 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.08 -47.95 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -47.99 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.23 -50.26 71.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -41.64 -42.79 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -59.31 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -60.97 -21.35 63.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' O ' HG22 ' A' ' 35' ' ' VAL . 21.6 mt -72.27 -55.76 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.686 HD23 HG21 ' A' ' 108' ' ' VAL . 19.8 mt -57.98 -12.97 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.4 mtp -96.35 -26.61 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.6 p -105.88 -69.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.3 m -65.93 -24.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.27 -172.71 18.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.92 174.2 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' VAL . 4.7 t -38.49 140.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 38' ' ' VAL . 1.8 m 69.49 34.13 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 m -132.32 134.89 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -130.66 174.99 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.3 pp -165.21 145.6 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 55' ' ' LEU . 90.6 t -106.15 138.16 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 56' ' ' TYR . 3.6 ptm85 -140.43 143.59 33.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.38 7.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.752 2.302 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -52.48 113.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.91 -69.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -44.5 -24.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 47.8 m -130.08 95.14 28.97 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 53.4 Cg_endo -69.81 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.34 -10.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' CD ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -112.48 -174.7 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -144.2 166.27 25.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 p -149.47 129.89 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 43' ' ' VAL . 2.8 tp -93.55 138.57 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 15.5 m-85 -121.27 105.58 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -101.95 149.97 23.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -117.35 125.28 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -127.48 149.21 50.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -33.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -72.57 -65.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -166.14 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.31 130.76 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -101.96 -175.23 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -159.51 115.15 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -96.15 166.94 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.03 126.59 51.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.76 95.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.97 141.54 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' CD ' ' OD1' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.72 146.66 61.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -114.6 150.0 43.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.44 4.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -111.64 38.61 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 44.37 51.27 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -148.32 177.95 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -122.98 147.42 46.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.86 132.27 55.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.6 ttt -139.31 111.66 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.54 43.71 95.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.34 28.36 68.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -115.76 175.11 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -148.37 110.3 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CG ' HG12 ' A' ' 89' ' ' ILE . 69.7 m-85 -116.71 162.74 17.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.22 -46.29 88.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 98.7 p -163.17 167.66 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' GLY . 10.1 mt -49.7 -64.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -35.81 -40.95 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ILE . 3.0 m-20 -67.26 -56.45 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.484 HG12 ' CG ' ' A' ' 83' ' ' TYR . 60.5 mt -35.41 -42.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.5 mt -68.32 -60.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -46.13 -31.0 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -75.98 -49.71 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.7 m-85 -56.13 -30.7 62.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.03 -12.25 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.16 -30.44 6.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -120.38 112.96 19.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.669 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 4.9 pt20 -40.85 131.59 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 99' ' ' VAL . 7.4 tt -85.01 -17.93 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.639 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.5 t -121.22 175.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.639 ' H ' HG12 ' A' ' 99' ' ' VAL . 12.4 pt-20 -50.0 -27.45 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.91 54.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 62.6 m-85 -146.8 147.46 30.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.669 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 52.7 m-85 -127.77 151.94 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.8 mt -79.36 109.79 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -86.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.99 139.03 12.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.3 Cg_endo -69.77 175.91 7.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.686 HG21 HD23 ' A' ' 32' ' ' LEU . 78.1 t -89.22 133.69 34.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.78 145.89 58.41 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.46 150.11 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -96.44 132.44 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.12 84.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -40.8 -58.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 113' ' ' GLN . 46.9 m -34.51 120.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 170.91 158.68 15.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.549 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.06 15.37 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -50.37 100.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -123.57 171.99 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.532 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p -118.44 94.0 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -141.0 113.62 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.2 -45.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -38.25 133.55 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -112.25 126.05 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 102.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -52.61 99.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -111.56 176.25 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.93 146.71 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -108.68 148.92 38.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -44.89 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -57.88 -40.32 79.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.48 -4.81 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.32 -9.22 62.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 31.6 mmtp -55.03 157.17 3.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.64 -33.56 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 24.2 p-90 -77.66 -19.76 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 58.2 t80 -82.12 154.9 25.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -151.63 111.64 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -15.31 3.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -54.41 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 31' ' ' LEU . 18.4 pt -57.72 177.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -110.3 176.84 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -65.02 -29.02 69.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.36 -43.38 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -60.13 -40.12 88.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.92 -34.51 63.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -63.39 -53.18 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.9 m-20 -66.67 -41.5 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.657 ' CD1' HD13 ' A' ' 23' ' ' ILE . 19.3 mt -49.98 -58.76 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 17.0 mt -63.51 -12.54 33.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.694 ' HG2' HD11 ' A' ' 63' ' ' ILE . 60.8 mmm -104.72 -10.6 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' ASN . 19.6 p -114.52 -63.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' LEU . 31.3 m -85.4 -23.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.04 154.9 21.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -116.18 -175.47 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 38' ' ' VAL . 88.0 t -65.07 -5.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.3 m -128.68 40.87 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -134.29 150.83 51.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.883 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.6 p90 -148.48 -179.33 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 171.3 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 55' ' ' LEU . 60.8 t -128.87 138.9 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 1.4 mtm105 -142.99 148.63 46.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 121.55 8.25 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -68.14 154.73 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.34 -41.05 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.84 -48.0 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.6 HG23 ' HD2' ' A' ' 50' ' ' PRO . 80.9 m -105.36 137.96 19.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.6 ' HD2' HG23 ' A' ' 49' ' ' THR . 53.3 Cg_endo -69.81 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.63 57.48 0.98 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.58 165.49 25.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -128.9 162.09 28.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -140.49 152.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.655 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -121.53 141.39 51.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 29.9 m-85 -125.85 118.76 26.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -123.58 149.18 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -107.62 122.23 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 p -117.23 179.65 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -67.88 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -83.27 -68.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -168.51 150.72 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.8 mt -51.99 125.34 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -92.93 -176.98 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -156.76 119.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -100.94 171.33 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -127.73 125.6 40.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.3 mt -109.51 122.66 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.9 t -115.25 134.12 22.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 156.59 62.82 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.328 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 77' ' ' MET . 74.7 p -132.93 151.8 78.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -105.02 41.28 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t30 40.6 45.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -141.34 -175.65 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.7 124.83 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.443 ' HG3' HG21 ' A' ' 71' ' ' THR . 38.7 mtp -89.11 119.82 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.77 -64.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.74 -48.5 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.65 41.51 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -156.59 175.22 14.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -123.88 96.91 5.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -91.72 134.76 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.4 -40.24 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.3 p -164.33 168.08 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 90' ' ' ILE . 53.7 mt -54.89 -43.93 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.79 14.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -39.38 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 86' ' ' ILE . 83.3 mt -53.38 -32.24 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.5 mp -71.7 -69.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -51.22 -24.74 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -75.09 -54.64 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.42 -32.49 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -39.67 -35.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -29.78 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.22 121.57 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.6 pt20 -55.7 116.79 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 99' ' ' VAL . 9.3 tt -72.3 -18.82 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.4 t -121.11 176.58 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.644 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.3 pt-20 -56.14 -13.99 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -179.91 51.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 64.3 m-85 -154.96 131.3 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.516 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 96.6 m-85 -106.9 168.06 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.883 HD22 ' CD1' ' A' ' 41' ' ' PHE . 96.0 mt -91.65 96.34 10.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -67.42 -65.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -156.72 143.96 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.74 175.11 8.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.286 . . . . 0.0 112.382 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.33 126.72 59.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 173.32 11.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mtm -89.52 -174.93 4.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -112.74 64.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.81 150.38 45.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 101.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.0 m -81.37 152.15 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.69 144.05 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -165.92 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.7 p -119.28 82.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.3 m -154.92 121.39 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 38.27 42.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -121.01 150.81 40.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.59 -126.97 44.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -49.83 163.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -107.93 42.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.75 160.25 14.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -101.83 112.32 24.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -72.16 126.03 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -108.4 115.83 30.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.93 149.44 48.78 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.74 2.51 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -56.05 -35.6 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.94 159.88 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 -26.21 24.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.513 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.0 mmtt -56.65 168.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.4 tt -93.83 -28.39 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 15.1 p-90 -83.99 -37.4 22.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 57.6 t80 -61.93 120.36 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.56 92.38 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.19 -7.9 42.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -86.67 -39.5 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 24' ' ' SER . 1.2 pp -84.9 176.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 23' ' ' ILE . 71.7 m -120.57 150.82 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 44' ' ' ARG . 45.3 tttm -33.29 -59.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -41.28 -49.51 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 3.5 mp0 -65.59 -57.02 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -34.94 -35.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 10.4 m-85 -66.1 -50.11 65.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.661 ' O ' HG23 ' A' ' 34' ' ' THR . 2.8 m-20 -69.22 -20.91 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 28' ' ' ALA . 28.8 mt -71.42 -58.9 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.54 -12.12 3.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -100.29 -28.12 13.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 30' ' ' ASN . 60.6 p -99.22 -72.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG11 ' NE2' ' A' ' 111' ' ' GLN . 31.6 m -72.39 -47.46 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -80.39 169.89 52.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 38' ' ' VAL . 8.1 tt0 -156.49 174.97 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 37' ' ' GLN . 4.7 t -34.65 142.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 m 68.73 35.2 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.5 p -124.37 143.08 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -139.04 161.0 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -164.98 151.19 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.657 HG22 HD12 ' A' ' 55' ' ' LEU . 11.4 t -119.11 148.99 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.7 ptm180 -151.01 142.75 15.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 127.35 14.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.7 t -57.14 102.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -44.4 -59.41 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -56.6 -46.48 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.5 m -104.6 92.36 4.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 111.179 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.12 -29.54 0.89 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.24 177.85 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -149.09 149.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.991 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -140.51 123.03 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD12 HG22 ' A' ' 43' ' ' VAL . 12.6 tp -76.43 153.57 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.401 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 45.3 m-85 -134.02 95.81 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.63 143.65 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' ' CG1' ' A' ' 63' ' ' ILE . 9.4 tpt180 -110.18 131.85 54.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.4 p -133.99 165.24 25.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -48.75 -40.46 28.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.31 -62.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -174.72 172.54 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG1' ' HD2' ' A' ' 58' ' ' ARG . 95.5 mt -78.24 123.45 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -91.88 -179.45 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -150.36 126.82 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.495 ' CD1' HD23 ' A' ' 55' ' ' LEU . 8.4 m-85 -104.06 176.46 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -127.21 132.37 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 77' ' ' MET . 62.2 mt -130.0 115.39 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.55 133.73 21.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.56 51.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.6 p -123.26 143.74 41.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.567 0.699 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.87 22.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.6 16.32 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 67.48 33.73 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -140.49 173.51 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -126.5 121.01 31.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' ILE . 59.5 mtp -78.79 141.78 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.41 19.19 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.32 -3.76 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.9 -15.48 0.91 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -111.21 151.18 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.99 140.57 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' ASN . 51.9 m-85 -133.41 138.43 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' TYR . 22.0 t30 -34.49 -57.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 m -169.44 164.19 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.3 mt -45.14 -51.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.13 -40.71 52.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.17 -53.36 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.777 0.322 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 83' ' ' TYR . 23.7 mt -40.33 -34.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.7 mt -74.65 -46.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.59 -38.0 88.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -67.41 -33.8 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 3.1 m-85 -74.19 -28.51 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -54.13 -27.0 30.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 -15.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -125.6 120.57 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 88.7 mt-30 -50.31 114.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.571 HG23 HG23 ' A' ' 99' ' ' VAL . 9.6 tt -67.71 -24.58 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.02 -176.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.739 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.2 pt-20 -52.78 -20.43 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.67 52.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -142.81 142.45 31.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 48.2 m-85 -109.42 168.34 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 41' ' ' PHE . 90.8 mt -93.65 99.73 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -158.74 143.87 11.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.06 10.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' A' ' 109' ' ' PRO . 70.3 t -83.79 133.76 45.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.459 ' HD2' HG13 ' A' ' 108' ' ' VAL . 54.0 Cg_endo -69.73 161.31 46.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mtm -80.67 -179.2 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.566 ' NE2' HG11 ' A' ' 35' ' ' VAL . 29.2 mm-40 -126.74 54.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -44.03 109.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -87.91 138.19 31.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 t -166.49 123.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.84 149.18 25.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 128.97 16.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.3 t -144.4 136.8 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -98.22 147.35 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -167.54 148.68 5.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.824 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -57.95 122.43 12.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.39 144.91 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -131.31 -51.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -65.63 162.27 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.99 59.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -103.74 117.71 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.21 156.05 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -105.36 139.13 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.69 161.34 59.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -42.22 3.58 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -61.02 -34.14 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -61.63 -21.94 64.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.17 -18.69 68.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -69.98 146.21 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 tt -82.57 -36.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.526 ' CZ3' HG21 ' A' ' 86' ' ' ILE . 36.5 p-90 -74.28 -15.54 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -81.69 133.63 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.416 ' HB2' HD13 ' A' ' 42' ' ' LEU . 21.6 m-70 -134.79 91.15 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.94 -21.34 8.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.5 -41.5 72.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 pt -62.18 -178.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -110.24 -175.87 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -71.72 -37.03 70.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.61 -51.97 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.93 -43.46 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -41.44 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.54 -41.56 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 34' ' ' THR . 55.8 t30 -74.81 -31.27 61.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 35' ' ' VAL . 81.5 mt -66.23 -59.74 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.676 ' HG ' HD23 ' A' ' 42' ' ' LEU . 15.9 mt -60.71 -15.97 34.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -92.9 -19.92 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 30' ' ' ASN . 80.7 p -113.55 -74.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.19 -20.9 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.84 -172.81 34.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -155.29 179.95 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.3 t -64.25 -6.17 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.9 m -126.55 26.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.72 150.68 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' HD22 ' A' ' 104' ' ' LEU . 28.8 p90 -139.71 173.02 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.829 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -164.55 141.35 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 42' ' ' LEU . 61.4 t -105.44 137.38 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -135.73 143.35 44.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 128.42 16.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' ASP . 2.5 t -57.8 150.6 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -94.46 -61.76 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -43.07 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 51' ' ' GLY . 27.2 m -94.35 125.77 50.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 111.111 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 4.99 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.707 ' H ' HG22 ' A' ' 49' ' ' THR . . . -151.34 62.57 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 46' ' ' SER . 31.5 t70 -153.17 162.3 41.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -142.62 172.19 13.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -160.78 144.88 13.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.2 tt -101.51 145.03 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.463 ' N ' HD23 ' A' ' 55' ' ' LEU . 4.6 m-85 -123.7 120.94 34.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -125.0 142.32 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' HE1' ' A' ' 33' ' ' MET . 7.2 tpt180 -97.8 131.18 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.7 p -132.72 165.83 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -50.65 -42.63 56.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.98 -68.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -166.43 158.79 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' A' ' 33' ' ' MET . 67.9 mt -63.24 117.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -75.22 178.37 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -157.0 116.12 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.36 176.82 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -138.17 127.15 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.53 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.3 m -91.3 142.85 27.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.57 68.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 77' ' ' MET . 28.4 p -126.61 147.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.96 32.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 47.75 38.2 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.75 175.74 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -119.64 140.35 50.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG3' HG21 ' A' ' 71' ' ' THR . 40.8 mtp -106.68 120.27 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -115.3 68.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.54 -62.05 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.47 35.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -146.36 146.73 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 132.64 48.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 89' ' ' ILE . 66.2 m-85 -130.06 152.2 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -65.48 -48.16 73.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.4 t -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' ILE . 71.0 mt -38.4 -46.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.47 -48.09 42.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.32 -53.87 31.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 83' ' ' TYR . 81.2 mt -41.23 -43.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.1 mp -66.7 -58.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -46.74 -37.29 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -77.97 -37.66 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 104' ' ' LEU . 3.1 m-30 -67.78 -26.05 65.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 11.2 mtp-105 -49.29 -26.3 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 96' ' ' GLU . 10.6 ptmt -106.77 -27.21 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 95' ' ' LYS . 9.0 mp0 -100.67 115.62 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 92.5 mt-30 -50.9 114.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.693 HG23 HG23 ' A' ' 99' ' ' VAL . 13.2 tt -69.02 -21.54 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.734 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -124.21 -174.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.734 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -81.4 39.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.55 36.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.415 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 74.2 m-85 -150.43 141.44 22.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.397 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 13.0 m-85 -114.15 172.43 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 41' ' ' PHE . 41.6 mt -98.18 100.59 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -75.23 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.75 143.94 11.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.483 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.7 -177.28 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -97.29 130.79 28.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 171.62 14.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.6 mtm -84.71 -175.8 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ASP . 8.3 mm-40 -126.2 81.99 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' GLN . 1.2 p30 -37.14 129.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -50.73 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 p -123.62 173.05 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.51 146.19 18.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 159.09 54.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 t -89.09 159.37 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.1 t -58.4 100.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -151.39 164.71 36.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 156.57 23.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 -146.76 16.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -126.24 83.55 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 m -111.66 110.21 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -91.13 97.23 2.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.8 ttp180 -37.11 120.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -88.99 157.78 18.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -77.8 124.14 27.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -109.11 147.52 36.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.55 3.35 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.734 2.289 . . . . 0.0 112.344 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -50.84 -44.24 59.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.1 pp20? -87.41 157.16 19.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.49 -21.6 40.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -58.56 168.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 tt -84.35 -28.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.575 ' CH2' HG21 ' A' ' 86' ' ' ILE . 35.9 p-90 -88.89 -15.16 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 77.5 t80 -87.09 147.69 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -136.7 127.46 27.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.96 -28.82 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -75.3 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.5 pt -55.24 -175.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 m -123.84 -179.47 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -58.65 -52.22 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -53.45 -59.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -40.44 -52.46 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.45 -49.45 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -54.27 -59.42 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -53.59 -43.19 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 28' ' ' ALA . 21.1 mt -56.54 -62.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.82 -12.63 4.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.44 -18.41 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 -74.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.99 -34.86 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.14 167.62 34.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' H ' ' CB ' ' A' ' 40' ' ' SER . 4.8 tt0 -131.56 -177.63 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 17.0 t -61.56 -8.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 18.9 p -125.28 35.17 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.421 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 86.4 p -125.74 147.31 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CD2' HD22 ' A' ' 104' ' ' LEU . 14.0 p90 -136.5 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -173.58 144.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 55' ' ' LEU . 61.6 t -104.07 160.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 43' ' ' VAL . 14.8 ptt85 -165.03 143.02 5.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 114.96 3.88 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -44.88 102.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.77 -35.54 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -70.36 -54.2 13.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 m -93.37 117.93 67.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.599 0.714 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 115.27 4.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.76 5.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.33 158.29 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -128.02 169.37 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 p -159.72 130.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 43' ' ' VAL . 5.3 tp -84.39 148.5 26.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.72 112.5 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 63' ' ' ILE . 52.8 t80 -119.63 152.81 36.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 19.6 tpt180 -99.9 134.8 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.6 p -128.85 154.79 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -41.77 -37.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.12 -75.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -158.86 153.48 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 57' ' ' PHE . 23.7 mt -53.04 134.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -90.05 -176.97 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -151.79 114.4 4.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -100.92 173.42 6.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -131.04 130.91 43.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.88 101.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.0 m -95.23 141.8 23.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 149.82 67.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.41 HG21 ' HG3' ' A' ' 77' ' ' MET . 67.5 p -127.94 148.71 68.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 0.03 6.22 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -105.83 38.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 42.19 46.75 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 83' ' ' TYR . 39.8 mt-30 -146.04 176.62 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.73 140.0 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 71' ' ' THR . 29.4 mtp -106.46 124.85 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.8 ttt -122.38 93.24 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.74 -62.94 2.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.49 28.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -126.02 176.03 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -131.02 120.12 23.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 84.3 m-85 -119.93 159.22 25.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.14 -50.44 70.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m -160.77 167.27 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.575 HG21 ' CH2' ' A' ' 18' ' ' TRP . 74.7 mt -48.2 -60.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.55 -44.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ILE . 10.5 t70 -62.73 -57.8 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 86' ' ' ILE . 72.0 mt -35.0 -45.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.2 mp -58.98 -59.82 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -53.64 -55.91 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -48.15 -31.29 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.402 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.7 m-85 -80.64 -39.28 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -46.83 -28.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -17.69 16.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.31 116.92 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 2.3 pt20 -48.48 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 99' ' ' VAL . 11.9 tt -55.79 -23.18 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.63 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -116.72 173.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.618 ' H ' HG12 ' A' ' 99' ' ' VAL . 8.4 pt-20 -44.54 -26.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -172.04 57.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 44.7 m-85 -153.27 143.17 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 95.8 m-85 -118.27 172.12 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 41' ' ' PHE . 63.4 mt -89.8 127.67 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 39' ' ' CYS . 27.1 mmtm -103.96 -68.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -150.02 138.78 12.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.403 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 40' ' ' SER . 21.3 t -97.99 128.97 32.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 149.92 67.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.84 148.57 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -105.29 127.73 53.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -102.62 103.98 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -115.47 -58.95 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 p -126.13 124.24 40.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.99 -158.81 32.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.16 34.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.272 . . . . 0.0 112.292 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -132.41 93.81 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 t -168.93 157.42 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 45.95 42.46 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -118.58 123.9 46.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 168.58 25.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -40.14 160.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -88.38 111.13 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 145.7 11.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -114.79 105.2 12.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -63.35 178.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -108.9 111.94 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -92.0 143.8 28.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.546 0.689 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.98 3.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -61.15 -21.38 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.88 6.03 49.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -135.48 43.34 1.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -92.93 155.12 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 109' ' ' PRO . 2.3 tp -67.71 -35.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -83.3 -31.79 26.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -72.19 147.17 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -148.81 105.87 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.48 -8.83 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' ILE . 14.4 pttp -82.93 -43.81 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.752 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.9 pt -72.59 -175.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -120.38 164.9 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 78.1 tttt -47.53 -59.89 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -46.27 -60.36 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -46.5 20.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . -45.47 -45.74 13.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -56.28 -44.89 80.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -67.39 -45.89 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 23' ' ' ILE . 14.0 mt -47.9 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' A' ' 42' ' ' LEU . 9.2 mt -61.77 -11.65 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -94.62 -14.16 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -128.45 -72.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.7 m -64.7 -22.62 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.51 175.39 19.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -145.92 -175.68 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.801 HG13 ' HA ' ' A' ' 59' ' ' THR . 36.3 t -65.76 -3.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.7 m -119.9 29.99 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 m -146.07 145.05 30.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 55' ' ' LEU . 6.0 p90 -132.72 173.66 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -159.96 138.67 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.06 148.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -151.78 139.37 12.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 126.07 12.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.7 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -123.1 -75.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' THR . 4.6 m120 -57.69 -67.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' ASN . 69.8 p -34.47 151.87 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 111.117 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 79.69 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.54 41.82 93.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.25 166.0 12.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -119.17 172.04 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -162.75 126.27 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 41' ' ' PHE . 5.5 tt -85.77 148.06 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.575 ' N ' HD23 ' A' ' 55' ' ' LEU . 89.6 m-85 -124.99 107.62 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -118.18 147.25 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 7.8 tpt180 -98.95 136.26 39.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.801 ' HA ' HG13 ' A' ' 38' ' ' VAL . 18.9 p -128.98 170.01 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -54.75 -41.26 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.44 -64.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.75 164.37 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 33' ' ' MET . 59.3 mt -59.94 124.4 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.34 178.03 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -144.79 114.99 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -101.65 156.0 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -120.07 120.67 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -113.42 118.61 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 m -109.84 142.11 25.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 165.6 30.52 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -138.25 145.28 46.6 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.151 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.09 3.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.3 17.86 21.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.88 33.44 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.36 -178.49 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.4 m-85 -128.68 131.47 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.4 mtp -97.42 122.43 40.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.72 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.27 60.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.26 26.87 54.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.84 177.55 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -131.37 131.08 43.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CD1' HG12 ' A' ' 89' ' ' ILE . 95.8 m-85 -134.2 132.5 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' TYR . 8.7 t-20 -37.3 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 32.9 t -150.02 161.7 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.522 ' HA ' HD12 ' A' ' 89' ' ' ILE . 86.3 mt -45.43 -48.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.19 -47.58 4.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.446 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.41 -56.68 14.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 86' ' ' ILE . 71.0 mt -37.06 -36.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.74 -69.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.26 -38.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -67.59 -45.01 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.94 -37.55 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -49.1 -28.91 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -99.03 -16.68 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -124.83 119.09 27.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 1.5 pt20 -44.57 115.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 99' ' ' VAL . 7.5 tt -73.85 -24.27 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.1 t -118.45 -174.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.9 pt-20 -82.65 38.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.598 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 141.96 35.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 13.8 m-85 -150.23 148.37 28.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 60.0 m-85 -126.52 168.14 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 61.9 mt -94.79 88.74 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -65.93 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -154.13 141.76 13.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.66 0.743 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.5 t -67.93 124.58 89.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.178 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' HD11 ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.8 154.14 67.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.643 2.229 . . . . 0.0 112.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.3 mtm -82.29 176.57 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -114.38 86.62 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -52.2 123.92 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.15 49.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 t -120.29 157.49 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.95 -171.49 53.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 157.25 61.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 p -123.69 -4.4 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -133.11 78.23 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -124.35 88.5 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -155.78 158.88 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.84 95.85 1.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -47.14 147.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 m -79.35 151.85 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.6 57.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -103.78 113.15 26.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -114.89 144.52 43.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -82.8 123.68 29.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -117.77 156.63 49.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -50.67 -40.69 54.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.14 131.65 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -28.76 8.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -54.85 157.32 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -82.66 -34.06 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 19' ' ' PHE . 34.7 p-90 -78.24 -27.06 47.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 31.9 t80 -74.36 156.78 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -151.77 127.65 10.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -39.88 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -40.43 82.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 pt -68.68 -178.95 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 m -122.61 164.18 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -46.84 -52.86 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -55.42 -62.97 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -39.9 -56.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -34.02 -51.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -54.87 -51.64 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.42 -48.64 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 28' ' ' ALA . 10.8 mt -47.55 -53.78 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' HG ' HD23 ' A' ' 42' ' ' LEU . 18.6 mt -60.04 -16.59 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.557 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -95.3 -22.12 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 p -112.11 -74.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 108' ' ' VAL . 21.5 m -65.75 -19.29 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.07 161.54 13.06 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -146.2 -178.05 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' SG ' ' A' ' 39' ' ' CYS . 5.0 t -40.48 140.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' HG12 ' A' ' 38' ' ' VAL . 4.6 m 67.32 40.14 2.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -127.58 137.99 52.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CD2' HD22 ' A' ' 104' ' ' LEU . 2.5 p90 -133.45 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.2 pp -159.48 147.52 17.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -108.07 140.2 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 45' ' ' PRO . 28.6 ptt85 -150.33 151.71 31.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 54.0 Cg_endo -69.75 149.27 66.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -83.94 136.5 34.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ASN . 1.2 m-20 -77.83 163.76 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ASP . 19.5 m120 34.01 48.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.51 161.43 52.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 0.0 111.118 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 7.61 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.69 2.68 7.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -45.45 162.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -126.85 158.53 36.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -147.85 130.87 16.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.2 tt -101.04 149.88 23.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.6 ' N ' HD23 ' A' ' 55' ' ' LEU . 9.7 m-85 -129.14 131.88 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' A' ' 99' ' ' VAL . 16.7 t80 -119.29 156.49 29.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -117.84 131.55 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 57' ' ' PHE . 44.8 p -140.87 157.97 44.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -43.96 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.13 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -168.87 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.8 mt -82.19 124.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.01 177.51 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -148.41 134.51 19.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.01 164.47 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 122.99 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.9 mt -112.83 108.35 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.8 m -99.17 142.14 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.7 41.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.436 HG21 ' HG3' ' A' ' 77' ' ' MET . 38.8 p -137.67 144.55 45.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -13.23 34.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -87.58 22.31 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' GLN . 71.6 m-20 57.48 49.77 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' A' ' 74' ' ' ASN . 6.7 mm100 -145.85 -176.23 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -130.82 131.21 44.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.436 ' HG3' HG21 ' A' ' 71' ' ' THR . 14.4 mtp -104.58 127.14 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 ttt -120.86 -56.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.37 46.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.41 85.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.6 161.33 21.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.32 120.16 40.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.522 ' CG ' HG12 ' A' ' 89' ' ' ILE . 2.9 m-85 -114.24 165.03 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.49 -51.5 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -167.26 160.17 13.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.1 mt -40.91 -51.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.57 -55.17 5.41 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ILE . 26.0 t0 -57.65 -57.7 11.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.522 HG12 ' CG ' ' A' ' 83' ' ' TYR . 86.9 mt -36.96 -49.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 104' ' ' LEU . 29.4 mt -57.57 -61.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 26.8 t70 -51.48 -56.98 10.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -49.45 -29.22 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -78.97 -31.85 45.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 91' ' ' ASP . 24.7 mmt180 -41.93 -43.37 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -19.19 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -102.32 116.18 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 103' ' ' TYR . 71.5 mt-30 -52.93 94.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 ' CG2' ' A' ' 99' ' ' VAL . 14.1 tt -57.76 -16.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -126.42 178.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.659 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.2 pt-20 -41.29 -27.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.81 48.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -134.68 136.24 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 97' ' ' GLN . 89.9 m-85 -104.07 166.56 10.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.621 HD22 ' CD2' ' A' ' 41' ' ' PHE . 45.7 mt -89.75 97.62 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -71.25 -63.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.92 141.59 4.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.434 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.76 174.27 9.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 109' ' ' PRO . 96.8 t -84.69 138.47 37.99 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.635 0.731 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.8 Cg_endo -69.73 172.98 11.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.8 mtm -85.59 -177.23 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -124.59 86.55 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.2 119.26 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -101.92 150.51 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 m -162.61 127.2 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.85 168.15 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 101.01 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.7 t -49.25 103.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m -84.07 -51.63 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -93.51 -49.18 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -82.74 159.37 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.4 -57.75 0.33 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -100.82 175.46 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -55.65 169.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.1 175.12 49.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -144.71 171.06 14.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.4 170.25 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -124.57 171.23 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -128.15 149.82 72.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -40.69 4.93 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.254 . . . . 0.0 112.301 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -55.29 -32.32 62.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -67.08 -14.16 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.58 -13.83 57.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -64.88 160.41 20.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -90.63 -32.3 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 107' ' ' PRO . 31.4 p-90 -79.18 -18.51 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 88.2 t80 -81.89 157.11 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 9.9 m-70 -151.02 138.47 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 -41.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.69 -34.15 73.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 31' ' ' LEU . 8.3 pt -78.85 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 t -126.95 161.2 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -38.17 -64.41 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 17.4 mp0 -42.31 -53.51 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.1 -53.01 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -38.36 -42.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.95 -66.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -47.97 -35.37 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 28' ' ' ALA . 12.9 mt -62.32 -53.28 57.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 10.1 mt -69.03 -3.34 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.493 ' SD ' HD11 ' A' ' 63' ' ' ILE . 86.2 mmm -102.96 -19.44 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -119.3 -74.48 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.2 m -66.65 -18.75 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.3 156.94 18.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -118.34 176.94 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 38' ' ' VAL . 11.1 t -65.03 -6.9 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.34 35.32 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.84 141.42 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CD2' HD11 ' A' ' 55' ' ' LEU . 29.7 p90 -130.7 -177.74 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.2 pp -165.42 163.46 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.484 HG22 HD12 ' A' ' 55' ' ' LEU . 93.1 t -127.6 128.63 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -131.05 143.85 51.12 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.87 10.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t -58.21 173.61 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -119.0 -46.35 2.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -65.07 -56.81 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -80.82 124.88 81.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.568 0.699 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.74 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.2 51.73 4.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -124.29 170.95 10.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -139.7 152.3 46.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.0 m -138.18 135.03 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 43' ' ' VAL . 5.0 tp -96.16 143.82 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 46.5 m-85 -131.52 109.24 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -116.28 149.15 39.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -101.79 130.81 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -131.07 161.62 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -40.28 27.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -72.03 -74.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -161.88 160.99 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 ' SD ' ' A' ' 33' ' ' MET . 84.9 mt -61.24 127.64 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.9 173.11 8.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -148.75 116.83 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.04 167.79 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.08 120.22 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.1 mt -109.13 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.54 133.98 35.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.716 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.5 35.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.4 p -108.45 150.99 41.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.23 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -89.09 37.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 45.25 53.7 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -147.41 -175.03 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -134.77 134.77 41.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 mtp -99.31 116.01 30.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.41 87.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.27 59.59 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 58.11 27.23 59.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -136.35 134.47 37.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.12 151.69 19.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.474 ' CG ' HG12 ' A' ' 89' ' ' ILE . 57.0 m-85 -147.19 158.54 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.51 -49.74 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ILE . 4.1 m -162.9 151.51 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 89' ' ' ILE . 57.9 mt -34.14 -62.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -41.14 -41.39 2.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 22.6 t70 -64.65 -53.81 41.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 86' ' ' ILE . 52.5 mt -39.85 -40.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' HIS . 34.9 mt -71.22 -67.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' ILE . 1.6 m-20 -37.04 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' ILE . 71.2 t60 -73.9 -55.86 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 98' ' ' ILE . 6.3 m-85 -55.47 -29.8 59.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -51.34 -33.04 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -105.27 -15.57 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -119.09 124.69 47.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.9 pt20 -54.11 116.08 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.589 HG23 HG23 ' A' ' 99' ' ' VAL . 13.7 tt -72.69 -24.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.72 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -118.08 -174.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.2 pt-20 -82.17 39.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.525 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 140.91 34.85 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 41.2 m-85 -152.42 139.61 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.482 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 65.8 m-85 -115.45 174.25 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 93' ' ' TYR . 81.7 mt -101.06 106.81 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -81.14 -73.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -145.27 143.5 20.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.74 166.9 26.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.54 124.04 87.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.11 62.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 155.25 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -99.3 86.27 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.3 t -123.21 80.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.45 146.9 8.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.2 25.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.8 p -61.33 176.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.5 p -47.63 169.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -115.69 -50.48 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 m -86.54 -59.24 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.07 50.06 40.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -116.13 125.87 52.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -78.14 99.1 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.62 -158.07 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -119.63 127.05 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.311 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -120.03 98.25 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -115.35 156.08 26.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.12 144.31 51.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.639 0.733 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -44.51 2.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.16 -32.14 66.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.77 19.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.48 34.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 51.9 mmtt -81.5 137.99 35.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.315 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 18' ' ' TRP . 16.3 tt -44.94 -43.78 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.5 ' N ' HG23 ' A' ' 17' ' ' ILE . 42.6 p-90 -76.44 -38.06 56.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -64.06 122.82 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -123.13 93.12 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.87 -17.19 11.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -76.43 -55.7 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.8 pt -51.25 -176.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -123.7 158.72 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -42.34 -56.85 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -52.31 -55.73 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -46.68 55.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -45.63 -39.19 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -67.25 -53.82 26.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -59.74 -31.8 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.2 mt -64.57 -61.44 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.3 mt -58.0 -12.47 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.5 -19.21 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -112.65 -74.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 36' ' ' GLY . 5.1 m -69.13 -44.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.503 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -81.64 143.89 23.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' N ' ' OG ' ' A' ' 40' ' ' SER . 12.1 mm-40 -115.11 -177.03 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.2 t -57.43 -12.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -120.03 34.15 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 37' ' ' GLN . 53.8 p -132.9 141.16 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -136.55 173.23 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 42' ' ' LEU . 3.9 pp -163.73 144.68 8.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.17 124.05 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -123.81 140.34 34.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.72 26.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 52' ' ' ASP . 1.8 m -86.94 143.77 27.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' ASN . 17.5 p-10 -94.08 -38.06 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ASP . 41.0 m-20 -35.58 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 50' ' ' PRO . 89.2 m -94.82 139.09 22.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.74 93.27 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.366 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.12 30.77 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 28.5 p30 -107.69 171.74 7.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.79 162.75 34.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -154.05 132.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 56' ' ' TYR . 10.3 tt -99.54 150.6 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.521 ' N ' HD23 ' A' ' 55' ' ' LEU . 14.4 m-85 -127.46 144.35 51.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -149.12 146.1 27.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' NH1' ' CE ' ' A' ' 33' ' ' MET . 14.0 tpt180 -99.99 130.31 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.437 ' HA ' HG13 ' A' ' 38' ' ' VAL . 21.1 p -125.4 169.9 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.03 -31.36 65.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -84.45 -67.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -165.26 162.57 19.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.18 121.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -86.04 -176.55 6.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -152.53 125.47 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -109.52 153.24 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -110.32 135.75 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.3 mt -128.1 118.09 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.0 143.38 26.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.07 25.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 77' ' ' MET . 73.0 p -140.31 146.08 44.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.572 0.701 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.31 23.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -93.46 25.96 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 55.37 47.87 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.04 178.01 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -127.72 131.53 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.51 ' HG3' HG21 ' A' ' 71' ' ' THR . 5.3 mtm -96.4 130.54 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -41.99 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.6 54.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.13 17.03 80.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -135.31 146.98 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -92.72 135.18 34.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASN . 43.3 m-85 -128.28 143.99 51.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' TYR . 24.2 m-80 -35.52 -59.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -170.91 162.01 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.9 mt -40.05 -54.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.4 -41.58 32.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.47 -55.78 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 77.9 mt -37.73 -41.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.94 -65.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -43.89 -44.14 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -60.95 -39.51 89.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.36 -38.17 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -47.35 -31.34 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -101.3 -20.48 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.49 119.05 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.606 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 1.1 pt20 -47.31 120.36 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.612 HG23 HG23 ' A' ' 99' ' ' VAL . 15.3 tt -79.71 -31.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -108.99 -175.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.729 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.3 pt-20 -83.4 36.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.49 33.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -150.58 142.62 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.921 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.606 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 29.0 m-85 -117.8 169.46 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.86 99.12 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -73.15 -72.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -143.6 143.92 25.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.34 27.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.6 118.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.98 6.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.29 174.19 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.443 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 15.1 mp0 -108.43 84.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.23 115.31 10.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -106.04 -59.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.6 t -87.14 156.26 19.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.78 162.67 11.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.8 27.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.7 p -165.16 160.77 18.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 56.9 p -71.86 119.32 15.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -73.74 -56.63 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 p -74.97 96.43 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.58 -136.62 5.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -170.34 118.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -46.39 123.98 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.85 163.87 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -119.47 108.12 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -78.94 140.02 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -119.7 177.96 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -133.74 154.83 80.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.06 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.419 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -46.36 -39.61 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -45.48 129.48 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.38 -40.32 2.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 61.1 mmtt -49.44 139.98 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 18' ' ' TRP . 20.4 tt -66.17 -40.93 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.5 p-90 -70.03 -14.24 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 74.2 t80 -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 18.3 m-70 -150.53 124.65 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.94 -32.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -64.01 -43.39 95.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 31' ' ' LEU . 12.2 pt -68.25 -175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 t -118.08 -174.98 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -69.67 -52.01 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -61.23 -38.66 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -48.13 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.09 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.28 -44.9 92.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' THR . 6.2 m-20 -67.57 -45.74 74.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.689 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.9 mt -49.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 28.0 mt -57.82 -13.24 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.751 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -102.48 -13.82 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASN . 12.1 p -111.03 -75.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' CG2' ' A' ' 108' ' ' VAL . 2.7 m -75.47 -36.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 37' ' ' GLN . . . -70.93 -170.68 10.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 82.8 mt-30 -159.79 -176.81 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.7 t -69.86 -0.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 m -132.87 42.1 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -147.64 153.42 39.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' HD2' HD11 ' A' ' 55' ' ' LEU . 1.9 p90 -147.35 -178.04 6.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.9 pp -168.57 152.65 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 55' ' ' LEU . 56.7 t -109.0 132.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -132.38 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 128.7 16.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 52' ' ' ASP . 2.8 m -60.1 128.58 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 10.4 t0 -83.35 156.34 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 9.4 p30 45.42 27.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 m -138.61 129.64 15.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.707 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.6 Cg_endo -69.76 124.94 11.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 37.35 71.64 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 0.5 OUTLIER -141.81 161.71 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -148.49 162.97 38.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -151.76 135.75 16.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 43' ' ' VAL . 12.9 tp -90.45 161.89 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 27.3 m-85 -143.33 112.45 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.09 146.97 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -100.5 144.36 29.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.669 HG21 ' NE2' ' A' ' 64' ' ' GLN . 71.4 p -141.09 172.27 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -43.63 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.09 -68.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -165.32 157.63 15.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 ' HG2' ' A' ' 33' ' ' MET . 69.2 mt -59.66 122.89 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.669 ' NE2' HG21 ' A' ' 59' ' ' THR . 7.0 pt20 -105.37 165.02 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -144.57 157.11 44.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD2' HD23 ' A' ' 55' ' ' LEU . 5.2 m-85 -129.28 168.65 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -119.55 136.74 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.84 121.27 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.69 140.55 21.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 167.08 25.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.1 p -142.18 144.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.13 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -95.44 22.21 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 59.02 31.77 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -131.87 -176.53 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -128.28 139.95 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 mtp -108.56 128.64 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 ttt -128.29 100.32 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.54 -58.55 4.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.48 32.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -135.98 177.26 7.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -125.03 132.58 53.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -132.54 137.58 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m-80 -41.77 -49.54 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -164.98 161.09 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 90' ' ' ILE . 73.2 mt -47.59 -49.22 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.31 -38.64 12.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.34 -54.01 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.536 HG22 ' CE2' ' A' ' 93' ' ' TYR . 8.4 mt -37.05 -36.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.4 mp -64.87 -54.73 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.73 -27.22 69.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -74.07 -37.26 64.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.536 ' CE2' HG22 ' A' ' 89' ' ' ILE . 10.4 m-85 -78.71 -37.65 41.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -46.9 -27.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -109.03 -11.24 14.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -123.68 117.46 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.51 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 1.5 pt20 -46.75 115.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 99' ' ' VAL . 13.9 tt -77.14 -18.89 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -124.38 -174.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.721 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.63 36.29 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -151.83 139.37 19.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.51 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 53.1 m-85 -117.16 163.02 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 85.4 mt -87.82 98.54 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -74.19 -71.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.68 136.98 11.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.35 42.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.687 ' CG2' HG23 ' A' ' 35' ' ' VAL . 7.2 p -66.54 133.9 94.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 108' ' ' VAL . 53.9 Cg_endo -69.73 171.78 13.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.2 mtm -101.63 -177.18 3.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -127.41 84.35 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -39.0 133.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -107.0 -67.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 t 54.11 28.94 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -173.92 127.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.3 11.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 m -97.62 108.16 20.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.6 p -68.23 155.39 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -126.27 128.25 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -66.14 86.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.48 63.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -61.15 -51.65 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -104.36 143.69 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -144.4 92.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.0 ttm180 33.81 47.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -139.82 136.09 33.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -124.5 138.12 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 5.6 t70 -122.47 140.68 33.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -59.08 -37.43 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.87 42.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.27 -32.99 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 38.0 mmtt -44.12 143.55 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.14 -30.32 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 47.0 p-90 -81.45 -28.33 34.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -78.42 132.45 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -132.07 118.56 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.84 -29.66 1.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -41.73 98.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG21 HD11 ' A' ' 31' ' ' LEU . 32.0 pt -69.59 172.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -111.58 175.94 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' NH2' ' A' ' 44' ' ' ARG . 30.3 tttm -57.88 -53.43 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 -59.06 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.9 mt-10 -45.13 -56.1 5.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.44 -49.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.09 -46.99 82.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.8 m-20 -65.69 -41.2 92.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 23' ' ' ILE . 40.7 mt -54.09 -65.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 11.2 mt -49.41 -18.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.683 ' SD ' HD11 ' A' ' 63' ' ' ILE . 93.2 mmm -91.1 -28.97 17.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.7 p -103.7 -74.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 36' ' ' GLY . 35.3 m -64.64 -45.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.506 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -76.25 -170.54 30.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.49 178.57 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 38' ' ' VAL . 14.4 p -70.75 1.16 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.7 20.69 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -133.8 158.02 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.0 p90 -144.7 179.78 7.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 42' ' ' LEU . 4.6 pp -166.84 158.39 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 55' ' ' LEU . 61.2 t -113.22 133.21 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ttt-85 -138.54 140.09 26.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.78 129.09 16.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -58.64 170.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -116.77 -54.28 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -50.52 -52.63 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 m -92.52 118.33 67.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 101.18 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.51 34.37 3.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -124.37 177.13 6.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 45' ' ' PRO . 70.3 m-85 -147.62 174.17 12.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -161.04 143.12 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 41' ' ' PHE . 7.2 tp -96.83 139.21 33.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.481 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 73.6 m-85 -120.31 106.27 11.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -120.39 143.75 48.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 10.5 tpt180 -101.02 135.3 42.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' GLU . 72.8 p -119.41 150.42 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' THR . 18.2 p30 -33.79 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' THR . 33.7 tt0 -82.21 -74.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -149.29 -176.08 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.683 HD11 ' SD ' ' A' ' 33' ' ' MET . 69.5 mt -84.69 133.42 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -96.54 -178.78 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -149.5 113.64 5.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.21 179.01 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -131.66 137.59 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.5 mt -131.59 118.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.42 135.22 21.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.76 41.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 31.8 p -107.9 148.93 38.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.06 11.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -105.43 50.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ASN . 75.6 m-80 37.09 51.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -151.31 -175.69 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -128.99 160.52 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.458 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 37.1 mtp -118.43 118.71 32.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 84.64 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.56 61.54 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.84 38.9 60.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.22 169.32 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.4 130.23 42.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.441 ' CD1' HG12 ' A' ' 89' ' ' ILE . 91.3 m-85 -138.09 146.6 43.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.41 -48.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ILE . 3.2 m -172.88 157.85 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . 76.6 mt -34.45 -52.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.49 -45.42 17.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -64.44 -54.74 27.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 83' ' ' TYR . 87.3 mt -37.07 -31.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 71.7 mt -71.47 -62.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.3 -38.35 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -64.57 -44.56 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.542 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 10.8 m-85 -68.33 -31.04 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -50.94 -36.76 40.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -99.28 -12.33 20.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -125.73 116.47 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 78.5 mt-30 -54.23 111.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 99' ' ' VAL . 9.1 tt -61.83 -35.78 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.7 t -104.76 178.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.719 ' H ' HG12 ' A' ' 99' ' ' VAL . 17.0 pt-20 -35.26 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 179.58 50.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.443 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 12.0 m-85 -126.47 145.91 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 97' ' ' GLN . 28.4 m-85 -116.07 156.59 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.7 mt -87.3 91.61 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -60.91 -69.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -149.81 142.08 15.49 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.37 62.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.424 HG21 HD23 ' A' ' 32' ' ' LEU . 60.2 t -54.42 122.21 36.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 162.82 40.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.8 mtm -96.9 -174.9 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -112.9 36.07 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 113' ' ' GLN . 28.0 t0 -41.51 134.47 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 112' ' ' ASP . 32.4 mm-40 35.57 46.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -39.33 -36.75 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.55 147.26 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -43.95 2.29 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.297 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -43.68 101.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.5 t -63.47 -38.6 91.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -97.84 121.95 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.837 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -90.32 136.7 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.61 67.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.551 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -160.16 165.21 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLY . 54.2 p -154.5 124.65 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 37.47 52.14 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.454 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.4 ttp85 -34.79 107.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.61 163.61 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -119.26 131.91 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 146.12 32.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.577 0.703 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -44.33 2.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.35 -37.61 56.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.98 131.09 41.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.83 -25.26 6.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.3 mmtp -49.38 145.11 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -68.75 -32.54 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 p-90 -84.34 -13.0 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CB ' ' HB2' ' A' ' 16' ' ' LYS . 39.0 t80 -89.22 143.03 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -135.15 115.73 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 -20.76 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -78.61 -42.48 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 31' ' ' LEU . 32.7 pt -66.27 -175.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -126.03 173.87 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -53.34 -55.36 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -56.02 -58.83 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -48.18 -46.28 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -48.5 -35.72 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.21 -50.33 34.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -28.36 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 28' ' ' ALA . 54.9 mt -65.98 -52.5 48.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.96 -8.52 49.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.637 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -96.75 -24.13 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -115.44 -75.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' LEU . 20.0 m -63.04 -20.8 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.47 -160.34 35.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -159.92 179.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 38' ' ' VAL . 99.4 t -66.25 -7.79 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.4 m -134.86 35.71 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -111.81 142.93 43.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 104' ' ' LEU . 5.6 p90 -138.15 168.05 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 pp -165.32 155.14 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 55' ' ' LEU . 94.9 t -104.92 134.39 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.593 ' NH2' ' CE2' ' A' ' 56' ' ' TYR . 8.8 ttp85 -143.35 139.99 17.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.28 8.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -56.94 147.06 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.38 -51.46 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.42 -37.95 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 m -104.35 93.56 5.89 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 53.7 Cg_endo -69.72 113.67 3.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.94 7.31 23.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.45 172.35 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -125.96 176.41 7.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -160.51 129.39 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 41' ' ' PHE . 4.3 tp -86.86 152.31 22.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 44' ' ' ARG . 17.2 m-85 -129.64 107.58 9.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 63' ' ' ILE . 25.7 t80 -114.76 158.69 21.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -113.89 144.45 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -145.03 164.56 30.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -47.56 -44.6 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -67.14 -72.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -167.42 157.04 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 57' ' ' PHE . 58.1 mt -54.7 134.5 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.88 178.09 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 56' ' ' TYR . 42.5 mtm180 -151.51 117.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -93.82 160.6 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -120.66 105.08 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.4 mt -99.21 115.76 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.73 134.57 19.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 p -106.73 148.98 37.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.65 36.39 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -85.85 22.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.5 t30 59.73 42.16 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.9 172.29 12.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -115.29 154.28 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 39.5 mtp -122.01 129.24 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.691 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -140.13 105.43 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.83 47.96 23.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 34.2 80.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -132.81 177.27 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -131.08 145.73 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.52 ' CG ' HG12 ' A' ' 89' ' ' ILE . 68.5 m-85 -149.84 166.68 28.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -63.84 -47.79 79.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.1 p -174.61 160.02 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 89' ' ' ILE . 82.0 mt -39.29 -66.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.81 -52.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' ILE . 26.9 m-20 -62.48 -57.82 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 86' ' ' ILE . 89.9 mt -34.67 -32.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 88' ' ' ASP . 65.3 mt -72.23 -49.35 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' ASP . 4.8 m-20 -60.71 -29.47 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -74.68 -39.16 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.585 ' CB ' HD12 ' A' ' 104' ' ' LEU . 7.3 m-85 -74.19 -36.96 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -108.62 -5.38 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -130.1 115.21 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 103' ' ' TYR . 58.3 mt-30 -44.2 108.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 78' ' ' MET . 12.9 tt -65.22 -25.73 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.705 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -117.8 -174.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.705 ' H ' HG12 ' A' ' 99' ' ' VAL . 3.1 pt-20 -80.72 40.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.3 37.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -147.86 134.06 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 97' ' ' GLN . 9.3 m-85 -109.43 169.95 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.687 HD22 ' CD1' ' A' ' 41' ' ' PHE . 33.5 mt -102.4 97.82 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -68.79 -74.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.71 143.88 17.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -179.95 3.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.385 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -98.27 127.98 34.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.31 66.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.94 165.64 16.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 1.6 mp0 -98.76 147.25 25.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.99 129.58 42.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 113' ' ' GLN . 25.3 mp0 -126.85 161.7 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.3 m -119.39 79.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.28 146.04 9.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.1 4.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 m -39.9 101.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -40.75 108.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -155.58 162.5 40.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -42.33 -57.99 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.46 177.87 19.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -132.51 158.39 42.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -91.7 92.63 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.38 -175.02 39.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -83.48 92.62 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -127.81 99.31 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -124.1 176.42 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.94 153.78 47.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.63 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -44.0 -43.07 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.62 154.36 42.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . 98.82 -39.48 2.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' PHE . 30.9 mmtm -36.68 135.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 18' ' ' TRP . 6.6 tt -65.88 -41.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 44.7 p-90 -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' N ' ' CE3' ' A' ' 18' ' ' TRP . 23.4 t80 -71.09 123.8 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.98 81.25 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.96 -17.79 31.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -71.03 -48.64 51.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' ALA . 42.8 pt -61.8 -176.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 m -125.45 176.91 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -62.01 -46.47 89.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -63.71 -56.04 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.61 -59.87 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -34.8 -53.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -49.01 -50.7 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -65.23 -37.57 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 35' ' ' VAL . 20.3 mt -57.19 -64.12 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 23.5 mt -49.68 -22.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 63' ' ' ILE . 87.6 mmm -88.22 -27.88 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.7 p -106.04 -75.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 31' ' ' LEU . 22.0 m -63.41 -38.22 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.96 158.3 24.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 40' ' ' SER . 53.2 mt-30 -146.06 -175.35 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' VAL . 2.5 t -45.63 146.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.2 m 63.39 29.4 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 11.2 t -119.94 144.44 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -145.27 170.16 16.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.6 pp -172.51 142.75 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 44' ' ' ARG . 90.0 t -95.17 159.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.537 ' N ' HG12 ' A' ' 43' ' ' VAL . 13.5 mtp-105 -150.51 127.92 5.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' SER . 53.9 Cg_endo -69.75 114.34 3.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' PRO . 19.8 t -37.66 137.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.12 -39.77 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -71.74 -72.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.705 HG22 ' H ' ' A' ' 51' ' ' GLY . 27.4 m -77.92 125.64 85.15 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 4.72 2.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.705 ' H ' HG22 ' A' ' 49' ' ' THR . . . -142.99 69.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 10.4 t70 -173.45 161.53 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 52' ' ' ASP . 13.9 m-85 -143.01 165.17 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.7 m -140.7 131.46 25.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 43' ' ' VAL . 4.9 tp -96.95 142.16 29.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 82.4 m-85 -126.76 118.46 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -115.22 139.24 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 21.6 tpt180 -104.73 125.26 50.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.3 p -130.6 158.72 39.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -54.17 -27.93 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -78.59 -64.54 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 23.2 p30 -170.92 154.49 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 33' ' ' MET . 89.2 mt -60.56 122.82 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -72.01 -173.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -166.29 114.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -120.76 173.47 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -133.56 147.75 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.3 mt -132.86 117.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 95.6 m -108.24 140.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.58 49.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.9 p -128.77 150.15 74.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.548 0.69 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.77 5.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -113.12 45.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m120 38.96 48.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -140.74 179.25 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -130.11 139.45 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.4 mtp -111.86 119.69 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.458 ' CE ' HD22 ' A' ' 55' ' ' LEU . 12.2 ttt -118.08 85.18 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.71 -65.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.1 34.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -138.01 173.27 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -125.63 133.1 52.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CD2' HG12 ' A' ' 89' ' ' ILE . 94.0 m-85 -134.4 138.86 45.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.14 -57.15 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.2 t -143.98 142.02 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 89' ' ' ILE . 97.7 mt -34.04 -58.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -34.57 -52.87 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -54.12 -51.54 63.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.2 mt -41.07 -35.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mp -70.25 -47.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.18 -28.82 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -76.0 -56.58 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 7.4 m-85 -49.99 -37.78 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -49.82 -30.43 9.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -97.99 -28.98 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.23 115.53 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -50.62 114.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.763 HG23 HG23 ' A' ' 99' ' ' VAL . 13.5 tt -67.82 -18.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -124.84 174.44 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.699 ' H ' HG12 ' A' ' 99' ' ' VAL . 14.2 pt-20 -35.08 -36.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -171.9 59.86 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -143.23 143.76 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.66 146.16 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.35 108.28 5.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -82.47 -67.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.97 137.78 12.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.543 HG21 HD23 ' A' ' 42' ' ' LEU . 55.6 t -82.65 129.84 60.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 146.18 59.45 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 110' ' ' MET . 0.0 OUTLIER -91.76 156.44 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.68 133.54 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 28.2 t70 -89.87 39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -106.73 39.57 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.4 t -46.83 125.76 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.69 145.39 4.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 104.77 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.2 t -81.05 99.05 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 p -60.01 -46.18 90.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -152.31 175.02 13.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -124.08 123.32 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.23 87.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -81.67 130.19 34.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -87.71 -45.39 10.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.45 135.63 4.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -149.96 155.57 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -46.37 135.35 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.2 115.83 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -96.24 149.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -41.79 3.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -49.43 -35.32 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -90.13 -12.87 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.41 25.47 24.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 42.4 mmtt -79.53 162.94 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -85.1 -24.75 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 50.9 p-90 -85.89 -33.29 21.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -64.8 150.73 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -151.02 105.9 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.74 -30.31 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -61.28 -53.69 53.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD13 ' CD1' ' A' ' 31' ' ' LEU . 16.7 pt -58.95 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -108.65 -177.29 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -65.75 -49.08 69.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.85 -50.98 66.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -44.93 -46.51 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -51.1 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -47.64 -37.68 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.33 -39.38 28.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 23' ' ' ILE . 12.5 mt -57.37 -35.1 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HG ' HD23 ' A' ' 42' ' ' LEU . 10.8 mt -86.23 -3.48 58.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -109.05 -16.77 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -111.89 -69.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 31' ' ' LEU . 33.8 m -79.73 -26.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.04 167.8 26.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.73 -178.5 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . 96.7 t -63.26 -10.13 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -117.65 28.22 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -128.88 143.29 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 55' ' ' LEU . 1.5 p90 -131.77 175.37 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.457 HD23 ' HG ' ' A' ' 32' ' ' LEU . 4.1 pp -163.49 157.82 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 t -121.39 143.69 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -140.99 147.45 47.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.05 14.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -56.79 112.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.83 -55.19 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -53.01 -49.99 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -114.27 120.63 37.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.569 0.7 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.26 19.05 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.58 -43.84 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 176.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 86' ' ' ILE . 80.5 m-85 -140.58 163.03 33.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.5 m -145.25 121.85 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.933 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.3 tt -94.24 162.34 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.933 ' N ' HD23 ' A' ' 55' ' ' LEU . 61.8 m-85 -145.26 123.33 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 44.5 t80 -130.07 143.31 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 17.2 tpt180 -91.81 137.7 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 p -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -53.76 -56.92 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -65.09 -61.06 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -172.37 -179.85 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.94 134.96 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -95.95 -179.56 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -142.05 116.56 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.19 174.05 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -137.62 113.8 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -108.6 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.8 133.85 31.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.77 67.47 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.26 . . . . 0.0 112.406 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -128.06 144.77 52.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.45 30.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -87.72 21.48 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.94 42.36 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -139.5 -175.97 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 19.9 m-85 -131.32 140.83 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.0 mtp -115.3 111.66 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 93' ' ' TYR . 7.3 ttt -112.74 -41.37 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.36 65.98 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.07 12.18 42.35 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -119.92 176.39 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -130.76 118.36 20.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -116.82 172.66 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -72.97 -54.99 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.51 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 91.3 p -165.1 169.52 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 53' ' ' TYR . 73.6 mt -45.87 -57.87 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.29 -47.68 5.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.46 -56.66 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 93' ' ' TYR . 30.3 mt -39.8 -46.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.9 mt -58.63 -55.46 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -52.95 -43.77 66.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -63.52 -55.06 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 89' ' ' ILE . 5.5 m-85 -52.38 -39.94 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -53.17 -25.82 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -92.23 -27.33 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 97' ' ' GLN . 25.6 mp0 -125.37 114.34 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.603 ' N ' ' CE2' ' A' ' 103' ' ' TYR . 3.7 pt20 -34.65 117.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.539 HG23 HG23 ' A' ' 99' ' ' VAL . 3.3 tt -71.99 -24.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.3 t -115.52 178.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.676 ' H ' HG12 ' A' ' 99' ' ' VAL . 2.8 pp20? -39.54 -41.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.92 38.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -126.15 137.7 53.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.603 ' CE2' ' N ' ' A' ' 97' ' ' GLN . 47.3 m-85 -110.88 154.68 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.98 102.15 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -77.65 -71.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -149.74 139.15 13.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.91 58.88 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.722 2.281 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 35' ' ' VAL . 50.6 t -70.52 120.17 77.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.01 58.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.51 176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 8.3 mp0 -112.13 73.3 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.91 96.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -110.27 144.9 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.5 m -126.1 30.79 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.83 -152.97 6.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 104.64 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 t -36.67 130.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.2 t -95.11 -177.25 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -166.27 173.3 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m 53.73 41.8 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.93 59.29 6.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -97.7 140.55 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -62.62 -32.35 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.58 138.61 14.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 113.59 13.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -86.59 138.23 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -107.37 117.47 34.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 4.3 t70 -151.63 141.36 14.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 53.5 Cg_endo -69.72 -30.4 22.52 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.76 -42.45 99.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -88.38 33.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.64 18.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 66.6 mmtt -64.61 162.48 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.33 -30.79 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 32.8 p-90 -87.31 -20.64 26.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 49.2 t80 -80.26 162.78 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 11.1 m-70 -154.89 117.7 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.67 -34.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.47 -40.62 96.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 pt -73.96 -175.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -127.6 164.73 21.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' N ' ' NH2' ' A' ' 44' ' ' ARG . 36.4 tttm -51.52 -42.17 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.68 -46.9 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.44 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.4 -49.78 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -71.81 -40.79 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.7 mt -55.53 -49.92 71.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 4.4 mt -67.16 -17.4 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG2' HD11 ' A' ' 63' ' ' ILE . 47.0 mmm -95.56 -17.57 21.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -108.9 -59.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.5 m -86.46 -30.08 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.09 156.13 30.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' C ' ' HG2' ' A' ' 58' ' ' ARG . 40.3 mt-30 -131.87 -174.94 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.3 p -63.35 -2.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 82.5 m -135.0 46.05 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -148.65 140.13 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.702 ' CD1' HD22 ' A' ' 104' ' ' LEU . 8.5 p90 -137.77 179.09 6.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 pp -163.37 155.89 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.25 142.45 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH2' ' N ' ' A' ' 25' ' ' LYS . 3.3 ptm85 -153.47 154.28 30.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.06 52.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 172.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.26 114.09 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 m120 40.08 39.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 17.5 m -131.25 91.95 34.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 53.4 Cg_endo -69.79 88.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.5 -25.06 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 4.7 m-20 -101.27 177.54 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 51.1 m-85 -158.72 172.29 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -165.18 141.71 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 56' ' ' TYR . 7.6 tt -97.12 151.55 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.716 ' N ' HD23 ' A' ' 55' ' ' LEU . 7.7 m-85 -129.15 120.16 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -131.96 136.82 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HG2' ' C ' ' A' ' 37' ' ' GLN . 5.4 ttt180 -94.89 141.05 29.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 57.9 p -120.77 165.51 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.25 -16.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -100.0 -75.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -152.03 163.96 38.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.415 HD11 ' HG2' ' A' ' 33' ' ' MET . 23.1 mt -67.86 135.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.421 HE22 HG11 ' A' ' 99' ' ' VAL . 72.5 mt-30 -102.95 -175.79 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -146.33 127.46 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -105.67 -177.01 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -142.87 122.26 13.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.68 98.87 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.7 m -85.4 140.8 36.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -129.52 151.42 77.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.74 14.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . 20.8 m120 -102.0 43.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ASN . 8.8 m-20 37.75 40.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -138.25 -178.42 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.81 147.95 50.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 mtp -112.53 126.85 55.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.2 ttt -133.27 97.44 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.58 52.83 6.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.75 33.04 66.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -128.73 157.4 41.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.86 137.58 54.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 89' ' ' ILE . 96.6 m-85 -145.04 137.45 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -39.69 -53.65 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' ILE . 14.0 t -158.24 156.31 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 89' ' ' ILE . 93.9 mt -36.28 -58.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.14 -46.6 1.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -58.61 -59.27 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.544 HG12 ' CD1' ' A' ' 83' ' ' TYR . 61.5 mt -35.84 -41.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.65 -68.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -44.06 -30.17 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -74.5 -45.59 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.494 ' CE2' HD12 ' A' ' 98' ' ' ILE . 5.7 m-85 -61.44 -43.03 99.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -40.94 -40.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -97.88 -18.23 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.16 116.89 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.53 119.21 2.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.744 HG23 HG23 ' A' ' 99' ' ' VAL . 3.8 tt -74.99 -27.94 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.744 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -118.46 178.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.72 ' H ' HG12 ' A' ' 99' ' ' VAL . 9.6 pt-20 -37.26 -32.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -175.77 56.57 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.416 ' OH ' ' ND2' ' A' ' 60' ' ' ASN . 23.3 m-85 -140.53 151.03 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.924 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -118.19 170.75 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.702 HD22 ' CD1' ' A' ' 41' ' ' PHE . 80.9 mt -106.63 99.71 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -68.23 -68.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -150.73 142.67 15.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.78 169.45 18.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG13 ' HD2' ' A' ' 109' ' ' PRO . 47.2 t -82.63 132.74 51.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.8 156.41 63.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.19 144.6 31.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -76.29 94.18 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.61 117.93 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -82.6 118.72 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.8 p -106.32 71.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 113.73 149.38 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.01 3.74 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t -52.45 -60.29 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.4 m -83.56 112.86 20.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -116.75 88.12 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -149.79 148.6 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -87.82 82.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLY . 16.1 m 34.34 48.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -105.11 129.55 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 93.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.13 125.49 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.898 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -134.73 164.5 27.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.5 33.59 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -73.54 149.44 88.56 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -40.03 5.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CE1' HD12 ' A' ' 86' ' ' ILE . 4.7 t-160 -56.65 -34.44 67.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -79.71 92.2 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.45 -25.64 0.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -48.63 155.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.17 -38.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -74.39 -16.95 60.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -82.29 141.77 32.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -140.13 108.5 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.32 -19.02 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.66 -45.91 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -66.51 -175.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -115.35 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -67.15 -47.25 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -59.59 -47.78 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.52 -50.0 73.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -42.82 -41.18 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -62.65 -60.82 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -53.68 -39.12 64.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 28' ' ' ALA . 11.7 mt -59.48 -60.24 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 42' ' ' LEU . 16.0 mt -63.69 -8.24 9.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.575 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -97.92 -24.41 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 p -112.12 -73.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 31' ' ' LEU . 21.8 m -65.11 -24.29 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.29 -176.52 41.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' CYS . 15.2 tt0 -157.11 164.94 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 48.4 t -43.13 -22.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' GLN . 8.8 m -112.25 45.48 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -138.42 135.48 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.3 p90 -128.8 164.92 21.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' A' ' 32' ' ' LEU . 1.1 pp -164.2 138.12 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.11 150.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -156.11 139.57 11.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.26 15.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 t -53.56 119.67 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -66.32 -64.13 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.43 121.05 56.26 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 109.31 2.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.74 -41.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -62.79 171.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -143.98 167.03 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -158.99 133.64 8.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 41' ' ' PHE . 10.4 tp -86.78 152.5 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 14.7 m-85 -131.72 102.94 6.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 38' ' ' VAL . 31.8 t80 -114.59 146.22 41.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 11.7 tpt180 -94.72 137.97 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HA ' HG13 ' A' ' 38' ' ' VAL . 69.8 p -135.62 155.44 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -43.09 -36.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -76.8 -72.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -165.8 152.22 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 33' ' ' MET . 56.2 mt -46.76 122.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -91.06 179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -148.48 128.76 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -109.32 142.76 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.4 130.89 42.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.7 mt -132.01 102.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.88 134.79 24.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 143.79 51.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.268 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.0 p -109.12 148.49 38.07 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.1 20.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.36 38.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 34.7 t30 48.54 40.27 14.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -142.48 -175.21 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -131.95 154.02 49.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.4 mtp -116.06 123.36 47.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.4 ttt -134.38 90.56 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.19 49.33 4.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.93 28.4 66.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -125.69 158.16 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -120.01 122.26 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CG ' HG12 ' A' ' 89' ' ' ILE . 62.6 m-85 -123.11 162.46 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 4.8 p-10 -66.38 -53.76 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.1 p -155.69 151.03 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 90' ' ' ILE . 26.1 mt -39.02 -61.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.509 ' HA2' HD13 ' A' ' 90' ' ' ILE . . . -37.63 -42.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.75 -50.8 65.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 86' ' ' ILE . 86.5 mt -42.81 -29.03 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 86' ' ' ILE . 5.1 mp -77.09 -45.97 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.31 -33.15 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -75.27 -36.46 61.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.521 ' CB ' HD12 ' A' ' 104' ' ' LEU . 3.7 m-85 -73.89 -27.7 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -57.11 -13.67 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.1 -17.85 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -112.6 145.65 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -70.54 103.85 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.77 HG23 HG23 ' A' ' 99' ' ' VAL . 7.9 tt -66.25 -23.54 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.77 HG23 HG23 ' A' ' 98' ' ' ILE . 2.0 t -121.57 173.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 99' ' ' VAL . 4.4 pt-20 -36.42 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . -174.62 56.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -139.73 159.23 42.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.13 151.58 47.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 93' ' ' TYR . 96.8 mt -83.57 107.21 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -77.68 -70.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -154.47 142.81 14.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.46 12.61 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.44 127.88 74.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 146.42 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 mtp -68.77 166.83 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -114.89 69.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 154.24 27.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 45.91 35.03 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.7 m -115.93 102.98 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -40.3 157.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 118' ' ' SER . 53.8 Cg_endo -69.77 -16.48 37.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.6 m -39.69 96.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PRO . 54.5 m -75.25 162.63 28.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -87.28 95.86 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -89.72 176.11 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -111.27 -56.49 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -101.86 82.84 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.63 173.1 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -160.64 154.75 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -60.27 151.96 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -122.46 175.58 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.68 153.69 47.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.43 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -44.81 -43.19 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -80.06 133.1 36.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.52 -42.3 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 55.0 mmtt -39.83 139.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -66.79 -35.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 36.9 p-90 -79.31 -16.35 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.68 147.14 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -144.24 105.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.04 -9.06 6.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -28.46 20.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.301 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 31' ' ' LEU . 18.6 pt -79.5 173.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -119.34 155.86 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.23 -65.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -45.16 -57.17 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' ASN . 3.2 mm-40 -49.8 -55.99 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -35.62 -51.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -55.77 -46.22 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 t30 -73.7 -21.94 60.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.6 mt -70.64 -58.49 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 42' ' ' LEU . 4.4 mt -53.34 -26.78 20.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 63' ' ' ILE . 90.2 mmm -78.83 -32.53 46.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 p -104.11 -70.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 31' ' ' LEU . 26.5 m -64.24 -26.22 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.02 171.5 16.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -152.72 175.05 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.3 136.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.5 m 66.09 46.42 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 m -136.54 139.18 42.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 11.1 p90 -129.13 173.98 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.8 pp -163.02 140.54 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 86' ' ' ILE . 89.1 t -98.56 134.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -150.26 139.65 13.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.62 28.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 t -50.73 165.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -110.41 -50.13 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.02 -53.86 52.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.4 m -104.86 115.74 62.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.569 0.7 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.374 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.71 13.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.03 163.64 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -131.9 156.68 45.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -147.24 124.61 11.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' ' 55' ' ' LEU . 10.0 tt -95.9 144.01 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 65' ' ' ARG . 28.5 m-85 -117.81 157.57 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -148.62 136.55 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' NH1' ' SD ' ' A' ' 33' ' ' MET . 13.8 ttt85 -107.98 125.49 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 p -121.93 151.81 40.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.87 -61.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -166.26 -178.68 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.764 HD11 ' SD ' ' A' ' 33' ' ' MET . 61.2 mt -95.69 139.53 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -111.11 -178.12 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 18.6 ttp180 -154.06 125.35 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.25 -179.13 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 148.87 52.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.13 110.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.08 134.77 21.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.05 62.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -122.02 149.29 53.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 111.166 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.86 37.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -87.46 42.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 m120 38.07 53.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -147.7 -178.48 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 36.4 mtp -107.64 117.83 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 72.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.75 -71.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.42 17.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -122.75 171.34 9.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -115.54 138.97 50.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.2 162.53 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -68.23 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 p -151.08 154.55 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 43' ' ' VAL . 80.3 mt -40.33 -47.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.44 -45.09 8.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' N ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -67.87 -52.6 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 88' ' ' ASP . 73.5 mt -39.79 -30.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.474 HG12 ' CZ ' ' A' ' 41' ' ' PHE . 52.9 mt -71.13 -52.82 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -65.82 -40.91 92.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -57.37 -35.91 70.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.42 -37.23 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -41.05 -39.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -91.06 -26.5 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.42 114.26 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 103' ' ' TYR . 2.9 pt20 -45.81 104.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 99' ' ' VAL . 8.8 tt -58.11 -28.51 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.706 HG23 HG23 ' A' ' 98' ' ' ILE . 1.7 t -113.46 173.24 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.616 ' H ' HG12 ' A' ' 99' ' ' VAL . 7.3 pt-20 -34.92 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.77 49.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -137.92 131.88 31.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 97' ' ' GLN . 90.0 m-85 -109.3 139.0 44.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.16 107.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -79.21 -61.71 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -152.05 140.14 13.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.39 8.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.483 HG13 HG23 ' A' ' 35' ' ' VAL . 54.0 t -90.94 121.49 67.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -177.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.468 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -113.72 36.53 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -170.59 118.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -87.02 115.9 24.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.2 t -39.87 109.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.9 -158.53 29.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.84 36.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.9 t -51.78 122.99 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.7 p -105.69 164.61 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -110.72 97.98 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -159.48 123.86 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.36 -81.76 1.26 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 p -160.09 168.41 25.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.4 p -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.97 116.37 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.93 121.66 32.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.57 160.88 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.33 117.62 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -106.39 152.23 40.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.13 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -51.73 -38.7 56.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.0 pt-20 -82.65 -12.18 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.31 59.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 26.0 mmtm -48.39 132.65 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.84 -25.57 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.548 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 28.8 p-90 -86.26 -18.19 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 14' ' ' GLU . 81.3 t80 -82.23 149.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -139.05 130.7 27.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.47 -32.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.431 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -44.79 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.622 HD11 HH12 ' A' ' 44' ' ' ARG . 29.1 pt -64.59 -175.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -123.37 171.26 9.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -58.97 -54.49 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.9 -50.13 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.7 mm-40 -54.03 -58.87 5.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -33.72 -45.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.29 -51.24 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLU . 42.3 t30 -64.97 -44.35 89.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 mt -50.3 -65.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 12.0 mt -49.29 -20.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 35' ' ' VAL . 65.6 p -104.36 -75.06 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 36' ' ' GLY . 33.2 m -62.41 -42.57 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -84.29 163.53 39.37 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' H ' ' CB ' ' A' ' 40' ' ' SER . 2.8 tp-100 -123.8 175.28 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HA ' ' CG ' ' A' ' 58' ' ' ARG . 81.0 t -52.7 -15.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -117.85 37.82 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 37' ' ' GLN . 17.5 m -130.35 134.98 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 104' ' ' LEU . 11.8 p90 -132.21 176.87 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.0 pp -167.61 149.72 5.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 86' ' ' ILE . 96.5 t -103.09 128.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.622 HH12 HD11 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.55 140.14 34.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . 53.3 Cg_endo -69.78 144.27 53.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -90.3 141.26 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' ASN . 65.0 m-20 -89.26 170.45 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ASP . 17.8 m-20 36.19 44.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.54 149.18 33.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.95 35.64 18.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -85.73 164.64 17.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 54.2 m-85 -143.15 176.25 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -157.21 138.73 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -95.69 146.01 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 76.1 m-85 -124.33 129.67 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 63' ' ' ILE . 42.5 t80 -146.12 148.14 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 38' ' ' VAL . 5.9 tpt180 -99.2 146.8 25.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.475 HG21 HE21 ' A' ' 64' ' ' GLN . 63.9 p -142.38 171.54 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -58.82 -42.09 88.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -174.19 148.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 33' ' ' MET . 88.4 mt -42.78 129.04 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.475 HE21 HG21 ' A' ' 59' ' ' THR . 29.8 mt-30 -94.87 165.09 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -137.88 122.39 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -106.07 159.92 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -112.85 129.51 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -118.25 110.68 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.3 t -101.47 134.35 20.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.95 67.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.396 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -121.81 147.27 48.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -5.9 17.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.58 25.87 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 56.68 42.21 27.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -137.39 -175.55 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -133.98 130.49 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.2 mtp -94.51 117.33 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -55.7 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.23 55.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.34 21.55 54.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.44 174.5 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -132.26 118.86 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 89' ' ' ILE . 93.3 m-85 -119.57 137.44 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -39.3 -57.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ILE . 8.3 t -148.65 150.54 33.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.56 ' HA ' HD12 ' A' ' 89' ' ' ILE . 95.4 mt -35.04 -55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.21 -55.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -53.11 -50.09 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 86' ' ' ILE . 81.5 mt -41.99 -39.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 86' ' ' ILE . 4.3 mp -66.53 -64.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -45.83 -26.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 98' ' ' ILE . 3.3 m-85 -57.9 -27.63 63.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 14.2 mtp-105 -61.38 -17.32 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -111.81 -12.29 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.58 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 4.1 pt20 -38.74 108.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.614 HG23 HG23 ' A' ' 99' ' ' VAL . 8.3 tt -69.74 -20.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -122.29 -174.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.732 ' H ' HG12 ' A' ' 99' ' ' VAL . 6.3 pt-20 -81.21 39.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 102' ' ' TYR . . . 137.42 38.04 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 101' ' ' GLY . 22.4 m-85 -151.58 150.16 29.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.365 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 97' ' ' GLN . 10.7 m-85 -125.82 156.39 39.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 41' ' ' PHE . 90.2 mt -78.51 102.59 7.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -72.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -148.61 138.0 12.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.736 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.77 159.77 52.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.544 HG13 ' HD2' ' A' ' 109' ' ' PRO . 84.1 t -72.02 135.74 82.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HD2' HG13 ' A' ' 108' ' ' VAL . 53.6 Cg_endo -69.76 153.96 68.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.258 . . . . 0.0 112.302 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -101.94 152.23 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -71.24 82.12 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -64.05 129.86 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.1 100.45 12.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.1 p -156.28 161.83 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.93 163.48 39.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 139.77 41.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -61.03 -61.88 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.5 m -159.15 161.07 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -72.2 -66.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 t -94.17 80.85 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.61 178.61 16.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -127.16 -50.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -42.32 130.79 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 150.98 17.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 mtm-85 -88.53 123.22 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.316 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 15.9 mp0 -38.6 141.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.32 163.38 16.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.68 142.53 25.24 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -45.59 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -61.81 -19.8 62.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -96.4 24.56 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.14 17.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 59.6 mmtt -60.52 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 18' ' ' TRP . 18.6 tt -53.97 -43.39 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 17' ' ' ILE . 28.4 p-90 -76.84 -14.78 59.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -85.05 146.05 27.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -144.25 111.95 6.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.53 -13.51 2.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -82.73 -29.72 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 pt -78.62 -175.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -117.71 166.84 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -58.28 -60.28 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 15.8 pm0 -54.1 -31.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' N ' ' HG2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.71 -54.46 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.46 -38.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.31 -41.52 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -77.98 -43.57 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 35' ' ' VAL . 42.6 mt -50.58 -54.64 21.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.82 -26.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -88.17 -15.26 36.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -113.02 -74.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 31' ' ' LEU . 19.3 m -69.92 -28.12 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.36 173.68 24.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -155.45 -176.42 5.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' N ' ' HE ' ' A' ' 58' ' ' ARG . 2.9 t -45.93 144.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 m 62.74 42.51 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.1 p -126.72 144.12 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HB2' HD21 ' A' ' 55' ' ' LEU . 2.7 p90 -139.23 161.62 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD11 ' HD2' ' A' ' 44' ' ' ARG . 3.6 pp -158.62 149.92 20.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -107.43 149.49 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 1.9 mtp-105 -148.43 147.25 24.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.3 32.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -52.28 158.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.9 103.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 41.59 52.79 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 91.5 m -148.36 104.98 3.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 49' ' ' THR . 54.0 Cg_endo -69.71 126.15 13.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.91 -40.03 2.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.89 162.29 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -154.53 159.37 40.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -137.25 118.46 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 56' ' ' TYR . 5.4 tt -90.42 151.97 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.702 ' N ' HD23 ' A' ' 55' ' ' LEU . 66.8 m-85 -133.58 120.09 20.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 63' ' ' ILE . 36.8 t80 -115.2 150.1 36.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 38' ' ' VAL . 18.3 ttt85 -116.72 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.1 p -134.74 162.06 33.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -49.69 -26.0 3.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.34 -69.65 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -166.1 157.63 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 57' ' ' PHE . 96.7 mt -69.65 127.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.65 159.54 16.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 56' ' ' TYR . 29.0 ttp180 -130.34 144.64 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 98' ' ' ILE . 3.4 m-85 -117.41 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -138.24 130.68 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -119.78 106.44 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 98.1 m -93.81 139.78 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.93 51.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.459 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 38.1 p -136.52 149.54 67.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.88 36.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' ASN . 39.3 t30 -87.79 46.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' ASN . 12.8 m-20 34.13 54.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -150.52 -175.0 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -132.55 144.15 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' A' ' 71' ' ' THR . 36.8 mtp -106.65 119.69 39.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.08 107.01 6.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 42.62 17.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.81 38.02 94.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -140.43 179.74 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 14.8 m-85 -128.2 144.85 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 17.6 m-85 -142.51 146.42 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -56.34 -42.39 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.2 p -169.81 152.88 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.1 mt -41.42 -48.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.66 40.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -43.05 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 86' ' ' ILE . 42.0 mt -47.27 -38.7 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 86' ' ' ILE . 3.6 mp -64.59 -64.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.58 -35.92 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -68.02 -51.1 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.23 -33.46 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -50.49 -26.7 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -110.8 -15.9 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -117.24 120.18 37.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' CG ' ' CZ ' ' A' ' 103' ' ' TYR . 83.2 mt-30 -55.28 114.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.52 HG23 ' CG2' ' A' ' 99' ' ' VAL . 15.5 tt -69.97 -24.74 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -113.49 -174.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.736 ' H ' HG12 ' A' ' 99' ' ' VAL . 5.0 pt-20 -72.95 2.79 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . 167.77 49.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 60.6 m-85 -154.78 130.83 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.92 0.391 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CZ ' ' CG ' ' A' ' 97' ' ' GLN . 12.6 m-85 -102.17 173.0 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD22 ' CD1' ' A' ' 41' ' ' PHE . 66.3 mt -96.84 87.91 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -58.68 -65.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -159.91 140.46 8.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.23 4.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.25 129.62 44.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.03 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 mtm -91.71 -177.12 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 112' ' ' ASP . 33.1 mm-40 -125.74 79.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 111' ' ' GLN . 4.2 t70 -36.78 109.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.792 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.69 141.49 37.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 t -106.79 -177.67 3.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 149.92 166.98 13.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.4 t 51.07 43.11 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.9 t -149.24 134.41 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.551 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 p -96.59 93.43 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -111.75 87.67 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.52 121.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -71.67 145.84 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -137.38 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.94 122.16 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -125.39 130.14 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -143.28 114.69 7.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.58 30.91 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CB ' ' OE1' ' A' ' 14' ' ' GLU . 5.4 m-20 -94.34 149.85 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.698 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 Cg_endo -69.8 -42.05 3.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -45.86 -41.22 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 14' ' ' GLU . 8.7 mp0 -83.33 25.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' PRO . . . -168.79 41.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 17.2 mmmt -88.44 162.92 16.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.42 -29.64 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.478 ' CZ2' ' HG3' ' A' ' 16' ' ' LYS . 46.2 p-90 -87.74 -23.23 24.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -82.37 134.4 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -140.86 105.5 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.77 -17.28 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -74.9 -46.27 37.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.8 -177.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 m -119.79 175.92 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -62.58 -55.54 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.41 -32.35 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.02 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 31' ' ' LEU . . . -40.21 -33.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.48 -56.87 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -61.92 -35.95 79.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.0 mt -57.23 -62.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 56' ' ' TYR . 5.9 mt -57.95 -18.28 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 63' ' ' ILE . 76.9 mmm -86.65 -27.92 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.9 p -110.82 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' LEU . 27.1 m -60.2 -27.0 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.69 139.05 14.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -98.78 -177.46 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 38' ' ' VAL . 21.4 t -62.82 -7.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.41 33.36 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -128.58 144.0 51.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 104' ' ' LEU . 9.1 p90 -139.84 -177.09 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD23 HG21 ' A' ' 108' ' ' VAL . 4.5 pp -170.05 159.23 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 55' ' ' LEU . 83.9 t -114.62 137.75 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -132.39 151.06 77.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.546 0.689 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 130.74 19.96 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 52' ' ' ASP . 4.2 m -62.07 109.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.34 -67.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -43.64 -55.22 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -108.99 122.57 39.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.693 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.72 43.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -47.53 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 46' ' ' SER . 1.7 m-20 -61.58 172.22 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -138.29 174.8 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -146.07 141.21 27.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.689 HD12 HG22 ' A' ' 43' ' ' VAL . 4.4 tp -110.68 148.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 61.0 m-85 -135.09 123.64 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -126.7 143.63 51.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -93.76 127.68 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.5 p -126.03 151.15 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -46.97 -31.25 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.1 -72.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.7 142.52 7.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 33' ' ' MET . 80.0 mt -47.57 126.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -90.29 -176.59 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -157.23 116.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -103.22 174.17 5.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -133.09 125.62 29.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.8 mt -112.6 108.99 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -98.12 142.29 24.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 156.62 62.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.9 p -129.07 151.51 77.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.1 m120 -102.48 44.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASN . 2.0 p30 37.04 49.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -142.32 -179.4 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.34 132.64 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 mtp -95.09 128.84 42.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 97.95 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.11 -66.05 2.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.01 25.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 178.19 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.6 146.28 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -137.7 138.87 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.43 -42.95 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -175.02 168.17 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.1 mt -52.66 -63.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.55 -36.52 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.93 -45.39 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.44 HG23 ' CE2' ' A' ' 93' ' ' TYR . 57.5 mt -45.43 -33.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -51.42 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -66.68 -24.05 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -79.19 -34.58 42.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.511 ' CD1' ' HB ' ' A' ' 98' ' ' ILE . 5.6 m-85 -79.2 -31.73 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -49.48 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -105.48 -12.02 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 95' ' ' LYS . 6.2 mm-40 -126.44 121.38 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' N ' ' CE1' ' A' ' 103' ' ' TYR . 3.1 pt20 -58.01 115.17 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 99' ' ' VAL . 15.2 tt -68.04 -15.59 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.756 HG23 HG23 ' A' ' 98' ' ' ILE . 2.3 t -128.17 171.26 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 99' ' ' VAL . 15.1 pt-20 -36.74 -39.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 102' ' ' TYR . . . -165.52 59.74 0.24 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.422 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 39.0 m-85 -148.71 131.22 15.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.404 ' CE1' ' N ' ' A' ' 97' ' ' GLN . 98.5 m-85 -110.83 148.42 32.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 41' ' ' PHE . 27.0 mt -76.66 113.02 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -80.0 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -154.5 141.26 13.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.8 Cg_endo -69.86 149.95 66.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.467 HG13 HG23 ' A' ' 35' ' ' VAL . 86.7 t -57.78 124.19 67.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.54 7.95 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -177.11 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 6.2 mp0 -117.03 47.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 112' ' ' ASP . 26.7 t70 38.37 43.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.77 137.02 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.6 t -155.2 154.14 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.53 -172.3 48.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -40.38 5.33 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t 49.71 41.33 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.7 t -144.97 112.37 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 stop_ save_